4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile

C11H20N2O — CID 115359670

IUPAC4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile
SMILESN#CCCCNCC1(CO)CCCC1
InChIInChI=1S/C11H20N2O/c12-7-3-4-8-13-9-11(10-14)5-1-2-6-11/h13-14H,1-6,8-10H2
InChIKeyZWYWBSYWRDPVIB-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.43
Rot. Bonds6

About 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile

4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile (PubChem CID 115359670) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile
PubChem CID115359670
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile
SMILESN#CCCCNCC1(CO)CCCC1
InChIInChI=1S/C11H20N2O/c12-7-3-4-8-13-9-11(10-14)5-1-2-6-11/h13-14H,1-6,8-10H2
InChIKeyZWYWBSYWRDPVIB-UHFFFAOYSA-N
XLogP1.43
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile
CID 65123008
[1-[(hexylamino)methyl]cyclopentyl]methanol
CID 115358683
1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol
CID 115359618
5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid
CID 103263075
[1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol
CID 81418639
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanenitrile
CID 103966347
[1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol
CID 81419638
[1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol
CID 103966488
[1-(butylaminomethyl)cyclopropyl]methanol
CID 115454363
[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol
CID 115359624
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide
CID 113359635
[1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol
CID 81419373

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile (CID 115359670) is 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile is N#CCCCNCC1(CO)CCCC1.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile?
The InChIKey is ZWYWBSYWRDPVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c12-7-3-4-8-13-9-11(10-14)5-1-2-6-11/h13-14H,1-6,8-10H2.
What are the key properties of 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile?
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile is sourced from PubChem (CID 115359670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).