4-[[(3-methylcyclopentyl)amino]methyl]benzonitrile

C14H18N2 — CID 64501741

IUPAC4-[[(3-methylcyclopentyl)amino]methyl]benzonitrile
SMILESCC1CCC(NCc2ccc(C#N)cc2)C1
InChIInChI=1S/C14H18N2/c1-11-2-7-14(8-11)16-10-13-5-3-12(9-15)4-6-13/h3-6,11,14,16H,2,7-8,10H2,1H3
InChIKeyNELLXBIZHFWTIT-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.84
Rot. Bonds3

About 4-[[(3-methylcyclopentyl)amino]methyl]benzonitrile

4-[[(3-methylcyclopentyl)amino]methyl]benzonitrile (PubChem CID 64501741) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[[(3-methylcyclopentyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(3-methylcyclopentyl)amino]methyl]benzonitrile
PubChem CID64501741
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-[[(3-methylcyclopentyl)amino]methyl]benzonitrile
SMILESCC1CCC(NCc2ccc(C#N)cc2)C1
InChIInChI=1S/C14H18N2/c1-11-2-7-14(8-11)16-10-13-5-3-12(9-15)4-6-13/h3-6,11,14,16H,2,7-8,10H2,1H3
InChIKeyNELLXBIZHFWTIT-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(3-ethylcyclopentyl)amino]methyl]benzonitrile
CID 64501740
4-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]benzonitrile
CID 60678085
[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]methanol
CID 114545663
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzonitrile
CID 79032302
3-methyl-N-[(4-phenylphenyl)methyl]cyclopentan-1-amine
CID 114543884
4-[[(3-aminocyclohexyl)amino]methyl]benzonitrile
CID 79459349
5-[[(3-methylcyclopentyl)amino]methyl]thiophene-3-carbonitrile
CID 114543819
4-[[[3-(hydroxymethyl)cyclohexyl]amino]methyl]benzonitrile
CID 112753314
4-[[[(3S)-pyrrolidin-3-yl]amino]methyl]benzonitrile
CID 86331368
N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide
CID 115651788
N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317393
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile
CID 43747011

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methylcyclopentyl)amino]methyl]benzonitrile?
The IUPAC name of 4-[[(3-methylcyclopentyl)amino]methyl]benzonitrile (CID 64501741) is 4-[[(3-methylcyclopentyl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(3-methylcyclopentyl)amino]methyl]benzonitrile?
The canonical SMILES for 4-[[(3-methylcyclopentyl)amino]methyl]benzonitrile is CC1CCC(NCc2ccc(C#N)cc2)C1.
What is the InChIKey of 4-[[(3-methylcyclopentyl)amino]methyl]benzonitrile?
The InChIKey is NELLXBIZHFWTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-2-7-14(8-11)16-10-13-5-3-12(9-15)4-6-13/h3-6,11,14,16H,2,7-8,10H2,1H3.
What are the key properties of 4-[[(3-methylcyclopentyl)amino]methyl]benzonitrile?
4-[[(3-methylcyclopentyl)amino]methyl]benzonitrile has a molecular weight of 214.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methylcyclopentyl)amino]methyl]benzonitrile is sourced from PubChem (CID 64501741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).