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

C15H20N2 — CID 64501740

IUPAC4-[[(3-ethylcyclopentyl)amino]methyl]benzonitrile
SMILESCCC1CCC(NCc2ccc(C#N)cc2)C1
InChIInChI=1S/C15H20N2/c1-2-12-7-8-15(9-12)17-11-14-5-3-13(10-16)4-6-14/h3-6,12,15,17H,2,7-9,11H2,1H3
InChIKeyWIBZGPLILUQRBA-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.23
Rot. Bonds4

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

4-[[(3-ethylcyclopentyl)amino]methyl]benzonitrile (PubChem CID 64501740) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[[(3-ethylcyclopentyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(3-ethylcyclopentyl)amino]methyl]benzonitrile
PubChem CID64501740
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name4-[[(3-ethylcyclopentyl)amino]methyl]benzonitrile
SMILESCCC1CCC(NCc2ccc(C#N)cc2)C1
InChIInChI=1S/C15H20N2/c1-2-12-7-8-15(9-12)17-11-14-5-3-13(10-16)4-6-14/h3-6,12,15,17H,2,7-9,11H2,1H3
InChIKeyWIBZGPLILUQRBA-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(3-methylcyclopentyl)amino]methyl]benzonitrile
CID 64501741
4-[[(3-aminocyclohexyl)amino]methyl]benzonitrile
CID 79459349
4-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]benzonitrile
CID 60678085
4-[[(3-ethylcyclopentyl)amino]methyl]-N,N-dimethylaniline
CID 64500811
4-[[[3-(hydroxymethyl)cyclohexyl]amino]methyl]benzonitrile
CID 112753314
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzonitrile
CID 79032302
4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzonitrile
CID 114480408
N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 79983701
4-ethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43078853
4-[[[(3S)-pyrrolidin-3-yl]amino]methyl]benzonitrile
CID 86331368
4-[[(2-ethylcyclohexyl)amino]methyl]benzonitrile
CID 43709316
[1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol
CID 111466478

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethylcyclopentyl)amino]methyl]benzonitrile?
The IUPAC name of 4-[[(3-ethylcyclopentyl)amino]methyl]benzonitrile (CID 64501740) is 4-[[(3-ethylcyclopentyl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(3-ethylcyclopentyl)amino]methyl]benzonitrile?
The canonical SMILES for 4-[[(3-ethylcyclopentyl)amino]methyl]benzonitrile is CCC1CCC(NCc2ccc(C#N)cc2)C1.
What is the InChIKey of 4-[[(3-ethylcyclopentyl)amino]methyl]benzonitrile?
The InChIKey is WIBZGPLILUQRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-12-7-8-15(9-12)17-11-14-5-3-13(10-16)4-6-14/h3-6,12,15,17H,2,7-9,11H2,1H3.
What are the key properties of 4-[[(3-ethylcyclopentyl)amino]methyl]benzonitrile?
4-[[(3-ethylcyclopentyl)amino]methyl]benzonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethylcyclopentyl)amino]methyl]benzonitrile is sourced from PubChem (CID 64501740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).