Chemical Components in the PDB

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NTB : Summary

Code

NTB

One-letter code

X

Molecule name

TERTIARY-BUTYLAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-methylpropan-2-amine
OpenEye OEToolkits 1.5.0 2-methylpropan-2-amine

Formula

C4 H11 N

Formal charge

0

Molecular weight

73.137 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 NC(C)(C)C
SMILES CACTVS 3.341 CC(C)(C)N
SMILES OpenEye OEToolkits 1.5.0 CC(C)(C)N
Canonical SMILES CACTVS 3.341 CC(C)(C)N
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(C)(C)N

IUPAC InChI

InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3

IUPAC InChI key

YBRBMKDOPFTVDT-UHFFFAOYSA-N

Is part of

ROC
NTB

wwPDB Information

Atom count

16 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned