Chemical Components in the PDB

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NSD : Summary

Code

NSD

One-letter code

X

Molecule name

N-(3-aminopropyl)propane-1,3-diamine

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(3-aminopropyl)propane-1,3-diamine
OpenEye OEToolkits 1.7.0 N'-(3-azanylpropyl)propane-1,3-diamine

Formula

C6 H17 N3

Formal charge

0

Molecular weight

131.219 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NCCCNCCCN
SMILES CACTVS 3.370 NCCCNCCCN
SMILES OpenEye OEToolkits 1.7.0 C(CN)CNCCCN
Canonical SMILES CACTVS 3.370 NCCCNCCCN
Canonical SMILES OpenEye OEToolkits 1.7.0 C(CN)CNCCCN

IUPAC InChI

InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2

IUPAC InChI key

OTBHHUPVCYLGQO-UHFFFAOYSA-N
NSD

wwPDB Information

Atom count

26 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-05-28

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned