2-[[(2-hydroxycyclopentyl)amino]methyl]benzonitrile

C13H16N2O — CID 115768010

IUPAC2-[[(2-hydroxycyclopentyl)amino]methyl]benzonitrile
SMILESN#Cc1ccccc1CNC1CCCC1O
InChIInChI=1S/C13H16N2O/c14-8-10-4-1-2-5-11(10)9-15-12-6-3-7-13(12)16/h1-2,4-5,12-13,15-16H,3,6-7,9H2
InChIKeyOUOZSODUTYXDBV-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.56
Rot. Bonds3

About 2-[[(2-hydroxycyclopentyl)amino]methyl]benzonitrile

2-[[(2-hydroxycyclopentyl)amino]methyl]benzonitrile (PubChem CID 115768010) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[[(2-hydroxycyclopentyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[(2-hydroxycyclopentyl)amino]methyl]benzonitrile
PubChem CID115768010
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-[[(2-hydroxycyclopentyl)amino]methyl]benzonitrile
SMILESN#Cc1ccccc1CNC1CCCC1O
InChIInChI=1S/C13H16N2O/c14-8-10-4-1-2-5-11(10)9-15-12-6-3-7-13(12)16/h1-2,4-5,12-13,15-16H,3,6-7,9H2
InChIKeyOUOZSODUTYXDBV-UHFFFAOYSA-N
XLogP1.56
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-3-[[(2-hydroxycycloheptyl)amino]methyl]benzonitrile
CID 107114776
2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol
CID 102734194
2-[(2-fluorophenyl)methylamino]cyclopentan-1-ol
CID 60713458
2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol
CID 113394671
2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol
CID 115907651
trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol
CID 102731298
2-[(2-methoxyphenyl)methylamino]cyclopentan-1-ol
CID 60713485
2-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]benzonitrile
CID 113338430
2-[[(3-methylsulfanylcyclohexyl)amino]methyl]benzonitrile
CID 113338452
2-[[(3-methylcyclobutyl)amino]methyl]benzonitrile
CID 115768121
2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 60612644
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxycyclopentyl)amino]methyl]benzonitrile?
The IUPAC name of 2-[[(2-hydroxycyclopentyl)amino]methyl]benzonitrile (CID 115768010) is 2-[[(2-hydroxycyclopentyl)amino]methyl]benzonitrile.
What is the SMILES notation for 2-[[(2-hydroxycyclopentyl)amino]methyl]benzonitrile?
The canonical SMILES for 2-[[(2-hydroxycyclopentyl)amino]methyl]benzonitrile is N#Cc1ccccc1CNC1CCCC1O.
What is the InChIKey of 2-[[(2-hydroxycyclopentyl)amino]methyl]benzonitrile?
The InChIKey is OUOZSODUTYXDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-8-10-4-1-2-5-11(10)9-15-12-6-3-7-13(12)16/h1-2,4-5,12-13,15-16H,3,6-7,9H2.
What are the key properties of 2-[[(2-hydroxycyclopentyl)amino]methyl]benzonitrile?
2-[[(2-hydroxycyclopentyl)amino]methyl]benzonitrile has a molecular weight of 216.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxycyclopentyl)amino]methyl]benzonitrile is sourced from PubChem (CID 115768010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).