3-[[(2-hydroxycyclopentyl)-methylamino]methyl]benzonitrile

C14H18N2O — CID 62967745

IUPAC3-[[(2-hydroxycyclopentyl)-methylamino]methyl]benzonitrile
SMILESCN(Cc1cccc(C#N)c1)C1CCCC1O
InChIInChI=1S/C14H18N2O/c1-16(13-6-3-7-14(13)17)10-12-5-2-4-11(8-12)9-15/h2,4-5,8,13-14,17H,3,6-7,10H2,1H3
InChIKeyGLHIEZKOFSDQIS-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.90
Rot. Bonds3

About 3-[[(2-hydroxycyclopentyl)-methylamino]methyl]benzonitrile

3-[[(2-hydroxycyclopentyl)-methylamino]methyl]benzonitrile (PubChem CID 62967745) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[[(2-hydroxycyclopentyl)-methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(2-hydroxycyclopentyl)-methylamino]methyl]benzonitrile
PubChem CID62967745
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-[[(2-hydroxycyclopentyl)-methylamino]methyl]benzonitrile
SMILESCN(Cc1cccc(C#N)c1)C1CCCC1O
InChIInChI=1S/C14H18N2O/c1-16(13-6-3-7-14(13)17)10-12-5-2-4-11(8-12)9-15/h2,4-5,8,13-14,17H,3,6-7,10H2,1H3
InChIKeyGLHIEZKOFSDQIS-UHFFFAOYSA-N
XLogP1.90
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol
CID 60714854
3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile
CID 62545532
3-[[cyclopropylmethyl(methyl)amino]methyl]benzonitrile
CID 47053990
3-[[(3-aminocyclopentyl)-methylamino]methyl]benzonitrile
CID 79469055
3-[[methyl-(2-oxocycloheptyl)amino]methyl]benzonitrile
CID 55148231
3-[[methyl-(2-oxoazepan-3-yl)amino]methyl]benzonitrile
CID 55153048
(2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 104900946
3-[(3-cyanophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397574
3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79707092
3-[[cyclopentyl(3-methylbutyl)amino]methyl]benzonitrile
CID 78982950
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
N-[(3-cyanophenyl)methyl]-N-methylazepane-2-carboxamide
CID 64561888

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydroxycyclopentyl)-methylamino]methyl]benzonitrile?
The IUPAC name of 3-[[(2-hydroxycyclopentyl)-methylamino]methyl]benzonitrile (CID 62967745) is 3-[[(2-hydroxycyclopentyl)-methylamino]methyl]benzonitrile.
What is the SMILES notation for 3-[[(2-hydroxycyclopentyl)-methylamino]methyl]benzonitrile?
The canonical SMILES for 3-[[(2-hydroxycyclopentyl)-methylamino]methyl]benzonitrile is CN(Cc1cccc(C#N)c1)C1CCCC1O.
What is the InChIKey of 3-[[(2-hydroxycyclopentyl)-methylamino]methyl]benzonitrile?
The InChIKey is GLHIEZKOFSDQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16(13-6-3-7-14(13)17)10-12-5-2-4-11(8-12)9-15/h2,4-5,8,13-14,17H,3,6-7,10H2,1H3.
What are the key properties of 3-[[(2-hydroxycyclopentyl)-methylamino]methyl]benzonitrile?
3-[[(2-hydroxycyclopentyl)-methylamino]methyl]benzonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.90, 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]methyl]benzonitrile is sourced from PubChem (CID 62967745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).