2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile

C15H20N2 — CID 114017972

IUPAC2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile
SMILESCC1CCCC1CNCc1ccccc1C#N
InChIInChI=1S/C15H20N2/c1-12-5-4-8-14(12)10-17-11-15-7-3-2-6-13(15)9-16/h2-3,6-7,12,14,17H,4-5,8,10-11H2,1H3
InChIKeyWUEHKJLHILGOLY-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.08
Rot. Bonds4

About 2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile

2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile (PubChem CID 114017972) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile
PubChem CID114017972
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile
SMILESCC1CCCC1CNCc1ccccc1C#N
InChIInChI=1S/C15H20N2/c1-12-5-4-8-14(12)10-17-11-15-7-3-2-6-13(15)9-16/h2-3,6-7,12,14,17H,4-5,8,10-11H2,1H3
InChIKeyWUEHKJLHILGOLY-UHFFFAOYSA-N
XLogP3.08
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid
CID 107418280
4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile
CID 107418224
2-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile
CID 114105332
3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol
CID 107417630
2-fluoro-3-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 107114810
2-[[(2,2-dimethylcyclopropyl)methylamino]methyl]benzonitrile
CID 103851701
1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 63455912
methyl 2-[[(2-methylcyclopentyl)methylamino]methyl]benzoate
CID 107417154
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456082
2-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzonitrile
CID 107935941
N-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide
CID 66419232
2-[[(3-cyano-2-fluorophenyl)methylamino]methyl]cyclopentane-1-carboxylic acid
CID 107118828

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile?
The IUPAC name of 2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile (CID 114017972) is 2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile?
The canonical SMILES for 2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile is CC1CCCC1CNCc1ccccc1C#N.
What is the InChIKey of 2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile?
The InChIKey is WUEHKJLHILGOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12-5-4-8-14(12)10-17-11-15-7-3-2-6-13(15)9-16/h2-3,6-7,12,14,17H,4-5,8,10-11H2,1H3.
What are the key properties of 2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile?
2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 114017972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).