Chemical Components in the PDB

pdbe.org/chem
spacer

N2P : Summary

Code

N2P

One-letter code

X

Molecule name

PENTANE-1,5-DIAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 pentane-1,5-diamine
OpenEye OEToolkits 1.5.0 pentane-1,5-diamine

Formula

C5 H14 N2

Formal charge

0

Molecular weight

102.178 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 NCCCCCN
SMILES CACTVS 3.341 NCCCCCN
SMILES OpenEye OEToolkits 1.5.0 C(CCN)CCN
Canonical SMILES CACTVS 3.341 NCCCCCN
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CCN)CCN

IUPAC InChI

InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2

IUPAC InChI key

VHRGRCVQAFMJIZ-UHFFFAOYSA-N
N2P

wwPDB Information

Atom count

21 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-05-23

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned