Chemical Components in the PDB

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2IM : Summary

Code

2IM

One-letter code

X

Molecule name

PIPERIDIN-2-IMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2E)-piperidin-2-imine
OpenEye OEToolkits 1.5.0 piperidin-2-imine

Formula

C5 H10 N2

Formal charge

0

Molecular weight

98.146 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [N@H]=C1NCCCC1
SMILES CACTVS 3.341 N=C1CCCCN1
SMILES OpenEye OEToolkits 1.5.0 C1CCNC(=N)C1
Canonical SMILES CACTVS 3.341 N=C1CCCCN1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1CCNC(=N)C1

IUPAC InChI

InChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-4H2,(H2,6,7)

IUPAC InChI key

DHGUMNJVFYRSIG-UHFFFAOYSA-N
2IM

wwPDB Information

Atom count

17 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-09-12

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned