3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pentanenitrile

C12H22N2O — CID 115359528

IUPAC3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pentanenitrile
SMILESCCC(CC#N)NCC1(CO)CCCC1
InChIInChI=1S/C12H22N2O/c1-2-11(5-8-13)14-9-12(10-15)6-3-4-7-12/h11,14-15H,2-7,9-10H2,1H3
InChIKeyCAKSBEWLIKZTME-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.82
Rot. Bonds6

About 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pentanenitrile

3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pentanenitrile (PubChem CID 115359528) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pentanenitrile.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pentanenitrile
PubChem CID115359528
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pentanenitrile
SMILESCCC(CC#N)NCC1(CO)CCCC1
InChIInChI=1S/C12H22N2O/c1-2-11(5-8-13)14-9-12(10-15)6-3-4-7-12/h11,14-15H,2-7,9-10H2,1H3
InChIKeyCAKSBEWLIKZTME-UHFFFAOYSA-N
XLogP1.82
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(1-methoxybutan-2-ylamino)methyl]cyclopentyl]methanol
CID 115358645
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-pentan-3-ylpropanamide
CID 115359406
[1-[(3-ethylpentan-2-ylamino)methyl]cyclohexyl]methanol
CID 81419360
3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]pentanenitrile
CID 62552508
1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide
CID 115360444
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile
CID 115359670
3-[(2,2-dimethylcyclohexyl)amino]pentanenitrile
CID 79836090
1-[(hex-5-yn-3-ylamino)methyl]cyclohexan-1-ol
CID 115663853
1-[2-(1-cyanobutan-2-ylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 62651646
2-[1-(aminomethyl)cyclobutyl]-N-(1-cyanobutan-2-yl)acetamide
CID 81168477
[1-[(2,6-dimethylheptan-4-ylamino)methyl]cyclopropyl]methanol
CID 81344009
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide
CID 113313239

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pentanenitrile?
The IUPAC name of 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pentanenitrile (CID 115359528) is 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pentanenitrile.
What is the SMILES notation for 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pentanenitrile?
The canonical SMILES for 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pentanenitrile is CCC(CC#N)NCC1(CO)CCCC1.
What is the InChIKey of 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pentanenitrile?
The InChIKey is CAKSBEWLIKZTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-11(5-8-13)14-9-12(10-15)6-3-4-7-12/h11,14-15H,2-7,9-10H2,1H3.
What are the key properties of 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pentanenitrile?
3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pentanenitrile has a molecular weight of 210.32 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pentanenitrile is sourced from PubChem (CID 115359528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).