Chemical Components in the PDB

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3CN : Summary

Code

3CN

One-letter code

X

Molecule name

3-AMINOPROPANE

Systematic names

ProgramVersionName
ACDLabs 10.04 propan-1-amine
OpenEye OEToolkits 1.5.0 propan-1-amine

Formula

C3 H9 N

Formal charge

0

Molecular weight

59.11 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 NCCC
SMILES CACTVS 3.341 CCCN
SMILES OpenEye OEToolkits 1.5.0 CCCN
Canonical SMILES CACTVS 3.341 CCCN
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCN

IUPAC InChI

InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3

IUPAC InChI key

WGYKZJWCGVVSQN-UHFFFAOYSA-N
3CN

wwPDB Information

Atom count

13 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-11-01

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned