4-[(cyclopentylamino)methyl]-3-methylbenzonitrile

C14H18N2 — CID 114479554

IUPAC4-[(cyclopentylamino)methyl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1CNC1CCCC1
InChIInChI=1S/C14H18N2/c1-11-8-12(9-15)6-7-13(11)10-16-14-4-2-3-5-14/h6-8,14,16H,2-5,10H2,1H3
InChIKeyLRSMBTNRZCIISE-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.90
Rot. Bonds3

About 4-[(cyclopentylamino)methyl]-3-methylbenzonitrile

4-[(cyclopentylamino)methyl]-3-methylbenzonitrile (PubChem CID 114479554) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[(cyclopentylamino)methyl]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[(cyclopentylamino)methyl]-3-methylbenzonitrile
PubChem CID114479554
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-[(cyclopentylamino)methyl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1CNC1CCCC1
InChIInChI=1S/C14H18N2/c1-11-8-12(9-15)6-7-13(11)10-16-14-4-2-3-5-14/h6-8,14,16H,2-5,10H2,1H3
InChIKeyLRSMBTNRZCIISE-UHFFFAOYSA-N
XLogP2.90
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(cyclopentylamino)methyl]-3-methylbenzonitrile 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

4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzonitrile
CID 114480408
3-methyl-4-[(oxolan-3-ylamino)methyl]benzonitrile
CID 114480582
3-[(cyclooctylamino)methyl]-4-fluorobenzonitrile
CID 28575792
4-[[(2-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzonitrile
CID 114480410
3-methyl-4-[[(2-phenylcyclopropyl)amino]methyl]benzonitrile
CID 114480146
3-methyl-4-[(2-methylpyrrolidin-1-yl)methyl]benzonitrile
CID 114481019
4-[[cycloheptyl(methyl)amino]methyl]-3-methylbenzonitrile
CID 114481012
3-methyl-4-[[(1-methylcyclobutyl)amino]methyl]benzonitrile
CID 114480814
3-methyl-4-[[(1-methylcyclopropyl)amino]methyl]benzonitrile
CID 114480812
3-methyl-4-[[(1-methylcyclobutyl)methylamino]methyl]benzonitrile
CID 114107870
3-methyl-4-[[(1-methylcyclohexyl)amino]methyl]benzonitrile
CID 114480166
3-methyl-4-[[3-(methylamino)pyrrolidin-1-yl]methyl]benzonitrile
CID 114484948

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopentylamino)methyl]-3-methylbenzonitrile?
The IUPAC name of 4-[(cyclopentylamino)methyl]-3-methylbenzonitrile (CID 114479554) is 4-[(cyclopentylamino)methyl]-3-methylbenzonitrile.
What is the SMILES notation for 4-[(cyclopentylamino)methyl]-3-methylbenzonitrile?
The canonical SMILES for 4-[(cyclopentylamino)methyl]-3-methylbenzonitrile is Cc1cc(C#N)ccc1CNC1CCCC1.
What is the InChIKey of 4-[(cyclopentylamino)methyl]-3-methylbenzonitrile?
The InChIKey is LRSMBTNRZCIISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-8-12(9-15)6-7-13(11)10-16-14-4-2-3-5-14/h6-8,14,16H,2-5,10H2,1H3.
What are the key properties of 4-[(cyclopentylamino)methyl]-3-methylbenzonitrile?
4-[(cyclopentylamino)methyl]-3-methylbenzonitrile has a molecular weight of 214.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopentylamino)methyl]-3-methylbenzonitrile is sourced from PubChem (CID 114479554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).