Chemical Components in the PDB

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YQ1 : Summary

Code

YQ1

One-letter code

X

Molecule name

1-(tripentyl-$l^{4}-azanyl)pentane

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 1-(tripentyl-$l^{4}-azanyl)pentane

Formula

C20 H44 N

Formal charge

0

Molecular weight

298.57 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCCC[N](CCCCC)(CCCCC)CCCCC
SMILES OpenEye OEToolkits 2.0.7 CCCCC[N](CCCCC)(CCCCC)CCCCC
Canonical SMILES CACTVS 3.385 CCCCC[N](CCCCC)(CCCCC)CCCCC
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCCC[N](CCCCC)(CCCCC)CCCCC

IUPAC InChI

InChI=1S/C20H44N/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3

IUPAC InChI key

BTVOGRXNCYUFMB-UHFFFAOYSA-N
YQ1

wwPDB Information

Atom count

65 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-03-22

Last modified at

2022-09-16

Status

Released

Obsoleted

Not Assigned