Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

1CB : Summary

Code

1CB

One-letter code

X

Molecule name

CYCLOPENTANAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 cyclopentanamine
OpenEye OEToolkits 1.5.0 cyclopentanamine

Formula

C5 H11 N

Formal charge

0

Molecular weight

85.148 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 NC1CCCC1
SMILES CACTVS 3.341 NC1CCCC1
SMILES OpenEye OEToolkits 1.5.0 C1CCC(C1)N
Canonical SMILES CACTVS 3.341 NC1CCCC1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1CCC(C1)N

IUPAC InChI

InChI=1S/C5H11N/c6-5-3-1-2-4-5/h5H,1-4,6H2

IUPAC InChI key

NISGSNTVMOOSJQ-UHFFFAOYSA-N
1CB

wwPDB Information

Atom count

17 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-09-06

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned