Chemical Components in the PDB

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9U3 : Summary

Code

9U3

One-letter code

X

Molecule name

N,N,N',N'-tetramethylethane-1,2-diamine

Systematic names

ProgramVersionName
ACDLabs 12.01 N~1~,N~1~,N~2~,N~2~-tetramethylethane-1,2-diamine
OpenEye OEToolkits 2.0.6 ~{N},~{N},~{N}',~{N}'-tetramethylethane-1,2-diamine

Formula

C6 H16 N2

Formal charge

0

Molecular weight

116.205 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CN(C)CCN(C)C
SMILES CACTVS 3.385 CN(C)CCN(C)C
SMILES OpenEye OEToolkits 2.0.6 CN(C)CCN(C)C
Canonical SMILES CACTVS 3.385 CN(C)CCN(C)C
Canonical SMILES OpenEye OEToolkits 2.0.6 CN(C)CCN(C)C

IUPAC InChI

InChI=1S/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3

IUPAC InChI key

KWYHDKDOAIKMQN-UHFFFAOYSA-N
9U3

wwPDB Information

Atom count

24 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-07-31

Last modified at

2019-08-09

Status

Released

Obsoleted

Not Assigned