3-[(2-hydroxycyclopentyl)-methylamino]butanenitrile

C10H18N2O — CID 63223531

IUPAC3-[(2-hydroxycyclopentyl)-methylamino]butanenitrile
SMILESCC(CC#N)N(C)C1CCCC1O
InChIInChI=1S/C10H18N2O/c1-8(6-7-11)12(2)9-4-3-5-10(9)13/h8-10,13H,3-6H2,1-2H3
InChIKeyFCIBHPQKYPDVON-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.13
Rot. Bonds3

About 3-[(2-hydroxycyclopentyl)-methylamino]butanenitrile

3-[(2-hydroxycyclopentyl)-methylamino]butanenitrile (PubChem CID 63223531) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[(2-hydroxycyclopentyl)-methylamino]butanenitrile.

Molecular Properties

Compound Name3-[(2-hydroxycyclopentyl)-methylamino]butanenitrile
PubChem CID63223531
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-[(2-hydroxycyclopentyl)-methylamino]butanenitrile
SMILESCC(CC#N)N(C)C1CCCC1O
InChIInChI=1S/C10H18N2O/c1-8(6-7-11)12(2)9-4-3-5-10(9)13/h8-10,13H,3-6H2,1-2H3
InChIKeyFCIBHPQKYPDVON-UHFFFAOYSA-N
XLogP1.13
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2-hydroxycyclopentyl)-methylamino]butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(1S,2S)-2-hydroxycyclohexyl]-methylamino]butanenitrile
CID 102732133
3-[[(1R,2R)-2-hydroxycyclohexyl]-methylamino]butanenitrile
CID 104954562
trans-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopentan-1-ol
CID 93346502
trans-(1S,2S)-2-[methyl(pentan-2-yl)amino]cyclohexan-1-ol
CID 102731911
3-[[(1R,2R)-2-hydroxycyclopentyl]-propan-2-ylamino]propanenitrile
CID 102734577
trans-(1S,2S)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]cyclopentan-1-ol
CID 102734969
2-[methyl(3-methylbutan-2-yl)amino]cyclopentan-1-ol
CID 60885120
2-[4-methoxybutan-2-yl(methyl)amino]cyclohexan-1-ol
CID 102636514
3-[ethyl-[(1S,2S)-2-hydroxycyclopentyl]amino]propanenitrile
CID 102734559
3-[[(1R,2R)-2-hydroxycyclohexyl]-methylamino]-2-methylpropanenitrile
CID 102732026
2-[ethyl(propan-2-yl)amino]cyclohexan-1-ol
CID 60886338
3-[[(1S,2S)-2-hydroxycyclohexyl]-methylamino]propanenitrile
CID 102731792

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxycyclopentyl)-methylamino]butanenitrile?
The IUPAC name of 3-[(2-hydroxycyclopentyl)-methylamino]butanenitrile (CID 63223531) is 3-[(2-hydroxycyclopentyl)-methylamino]butanenitrile.
What is the SMILES notation for 3-[(2-hydroxycyclopentyl)-methylamino]butanenitrile?
The canonical SMILES for 3-[(2-hydroxycyclopentyl)-methylamino]butanenitrile is CC(CC#N)N(C)C1CCCC1O.
What is the InChIKey of 3-[(2-hydroxycyclopentyl)-methylamino]butanenitrile?
The InChIKey is FCIBHPQKYPDVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(6-7-11)12(2)9-4-3-5-10(9)13/h8-10,13H,3-6H2,1-2H3.
What are the key properties of 3-[(2-hydroxycyclopentyl)-methylamino]butanenitrile?
3-[(2-hydroxycyclopentyl)-methylamino]butanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxycyclopentyl)-methylamino]butanenitrile is sourced from PubChem (CID 63223531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).