Mrv0541 01131511272D          

  9  8  0  0  0  0            999 V2000
   11.9912    0.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2767    0.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5622    0.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7056    0.7287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4200    0.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4201   -0.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1345    0.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8642    1.4432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6892    1.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
M  END
> <ID>
CHEBI:84265

> <NAME>
N(1)-isopropyl-2-methylpropan-1,2-diamine

> <DEFINITION>
A primary aliphatic amine that is propan-1,2-diamine substituted by an isopropyl group at N1 and a methyl group at position 2. Metabolite observed in cancer metabolism.

> <STAR>
3

> <SYNONYM>
2-amino-1,1-dimethylethylisopropylamine

> <IUPAC_NAME>
2-methyl-N(1)-(propan-2-yl)propane-1,2-diamine

> <FORMULA>
C7H18N2

> <MASS>
130.23120

> <MONOISOTOPIC_MASS>
130.14700

> <CHARGE>
0

> <SMILES>
CC(C)NCC(C)(C)N

> <INCHI>
InChI=1S/C7H18N2/c1-6(2)9-5-7(3,4)8/h6,9H,5,8H2,1-4H3

> <INCHIKEY>
BVVNMQQFLWWRFT-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
5448-29-3

> <REAXYS_REGISTRY_NUMBER>
1697834

> <CHEMIDPLUS>
5448-29-3

> <PUBMED_CITATION>
25518943

$$$$