Chemical Components in the PDB

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LEN : Summary

Code

LEN

One-letter code

L

Molecule name

3-METHYLBUTAN-1-AMINE

Systematic names

ProgramVersionName
ACDLabs 12.01 3-methylbutan-1-amine
OpenEye OEToolkits 1.7.0 3-methylbutan-1-amine

Formula

C5 H13 N

Formal charge

0

Molecular weight

87.163 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NCCC(C)C
SMILES CACTVS 3.370 CC(C)CCN
SMILES OpenEye OEToolkits 1.7.0 CC(C)CCN
Canonical SMILES CACTVS 3.370 CC(C)CCN
Canonical SMILES OpenEye OEToolkits 1.7.0 CC(C)CCN

IUPAC InChI

InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3

IUPAC InChI key

BMFVGAAISNGQNM-UHFFFAOYSA-N

Is part of

R99 , RL2
LEN

wwPDB Information

Atom count

19 (6 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide COOH carboxy terminus

Type code

ATOMP

Is modified

Yes

Standard parent

LEU

Defined at

2003-05-27

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned