4-[(1-cyclopentylethylamino)methyl]-2-methoxybenzonitrile

C16H22N2O — CID 106787528

IUPAC4-[(1-cyclopentylethylamino)methyl]-2-methoxybenzonitrile
SMILESCOc1cc(CNC(C)C2CCCC2)ccc1C#N
InChIInChI=1S/C16H22N2O/c1-12(14-5-3-4-6-14)18-11-13-7-8-15(10-17)16(9-13)19-2/h7-9,12,14,18H,3-6,11H2,1-2H3
InChIKeyNEVYPGYLORLJGG-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.24
Rot. Bonds5

About 4-[(1-cyclopentylethylamino)methyl]-2-methoxybenzonitrile

4-[(1-cyclopentylethylamino)methyl]-2-methoxybenzonitrile (PubChem CID 106787528) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-[(1-cyclopentylethylamino)methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(1-cyclopentylethylamino)methyl]-2-methoxybenzonitrile
PubChem CID106787528
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4-[(1-cyclopentylethylamino)methyl]-2-methoxybenzonitrile
SMILESCOc1cc(CNC(C)C2CCCC2)ccc1C#N
InChIInChI=1S/C16H22N2O/c1-12(14-5-3-4-6-14)18-11-13-7-8-15(10-17)16(9-13)19-2/h7-9,12,14,18H,3-6,11H2,1-2H3
InChIKeyNEVYPGYLORLJGG-UHFFFAOYSA-N
XLogP3.24
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(1-cyclopentylethylamino)methyl]-2-methoxybenzonitrile 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

5-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxybenzonitrile
CID 81396043
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62633318
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol
CID 81396225
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol
CID 81391316
(1S)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-cycloheptylethanamine
CID 81391440
2-methoxy-4-[(2-methylpentan-3-ylamino)methyl]benzonitrile
CID 106787238
1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43400202
(2R)-2-[(4-cyano-3-methoxyphenyl)methylamino]propanoic acid
CID 106792601
4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-2-methoxybenzonitrile
CID 106787482
(1S)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 81385952
(1R)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 81395158
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-fluorobenzonitrile
CID 107904611

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopentylethylamino)methyl]-2-methoxybenzonitrile?
The IUPAC name of 4-[(1-cyclopentylethylamino)methyl]-2-methoxybenzonitrile (CID 106787528) is 4-[(1-cyclopentylethylamino)methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 4-[(1-cyclopentylethylamino)methyl]-2-methoxybenzonitrile?
The canonical SMILES for 4-[(1-cyclopentylethylamino)methyl]-2-methoxybenzonitrile is COc1cc(CNC(C)C2CCCC2)ccc1C#N.
What is the InChIKey of 4-[(1-cyclopentylethylamino)methyl]-2-methoxybenzonitrile?
The InChIKey is NEVYPGYLORLJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12(14-5-3-4-6-14)18-11-13-7-8-15(10-17)16(9-13)19-2/h7-9,12,14,18H,3-6,11H2,1-2H3.
What are the key properties of 4-[(1-cyclopentylethylamino)methyl]-2-methoxybenzonitrile?
4-[(1-cyclopentylethylamino)methyl]-2-methoxybenzonitrile has a molecular weight of 258.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopentylethylamino)methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 106787528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).