Chemical Components in the PDB

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13D : Summary

Code

13D

One-letter code

X

Molecule name

1,3-DIAMINOPROPANE

Systematic names

ProgramVersionName
ACDLabs 10.04 propane-1,3-diamine
OpenEye OEToolkits 1.5.0 propane-1,3-diamine

Formula

C3 H10 N2

Formal charge

0

Molecular weight

74.125 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 NCCCN
SMILES CACTVS 3.341 NCCCN
SMILES OpenEye OEToolkits 1.5.0 C(CN)CN
Canonical SMILES CACTVS 3.341 NCCCN
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CN)CN

IUPAC InChI

InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2

IUPAC InChI key

XFNJVJPLKCPIBV-UHFFFAOYSA-N
13D

wwPDB Information

Atom count

15 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-04-04

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned