Chemical Components in the PDB

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DIP : Summary

Code

DIP

One-letter code

X

Molecule name

DIPENTYLAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-pentylpentan-1-amine
OpenEye OEToolkits 1.5.0 N-pentylpentan-1-amine

Formula

C10 H23 N

Formal charge

0

Molecular weight

157.296 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 N(CCCCC)CCCCC
SMILES CACTVS 3.341 CCCCCNCCCCC
SMILES OpenEye OEToolkits 1.5.0 CCCCCNCCCCC
Canonical SMILES CACTVS 3.341 CCCCCNCCCCC
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCNCCCCC

IUPAC InChI

InChI=1S/C10H23N/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-10H2,1-2H3

IUPAC InChI key

JACMPVXHEARCBO-UHFFFAOYSA-N
DIP

wwPDB Information

Atom count

34 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned