3-[1-(2-cyclopentylethylamino)ethyl]benzonitrile

C16H22N2 — CID 54931681

IUPAC3-[1-(2-cyclopentylethylamino)ethyl]benzonitrile
SMILESCC(NCCC1CCCC1)c1cccc(C#N)c1
InChIInChI=1S/C16H22N2/c1-13(16-8-4-7-15(11-16)12-17)18-10-9-14-5-2-3-6-14/h4,7-8,11,13-14,18H,2-3,5-6,9-10H2,1H3
InChIKeyPANBZVCMNBYBPA-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.79
Rot. Bonds5

About 3-[1-(2-cyclopentylethylamino)ethyl]benzonitrile

3-[1-(2-cyclopentylethylamino)ethyl]benzonitrile (PubChem CID 54931681) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-[1-(2-cyclopentylethylamino)ethyl]benzonitrile.

Molecular Properties

Compound Name3-[1-(2-cyclopentylethylamino)ethyl]benzonitrile
PubChem CID54931681
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name3-[1-(2-cyclopentylethylamino)ethyl]benzonitrile
SMILESCC(NCCC1CCCC1)c1cccc(C#N)c1
InChIInChI=1S/C16H22N2/c1-13(16-8-4-7-15(11-16)12-17)18-10-9-14-5-2-3-6-14/h4,7-8,11,13-14,18H,2-3,5-6,9-10H2,1H3
InChIKeyPANBZVCMNBYBPA-UHFFFAOYSA-N
XLogP3.79
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(cyclohexylmethylamino)ethyl]benzonitrile
CID 43775658
3-[1-(cyclobutylmethylamino)ethyl]benzonitrile
CID 43775260
(1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 98487940
3-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzonitrile
CID 60973082
N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63450355
3-[1-(cyanomethylamino)ethyl]benzonitrile
CID 130736059
N-[2-[1-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115905342
N-(2-cyclobutylethyl)-1-phenylethanamine
CID 115688569
3-[(1R)-1-(ethylamino)ethyl]benzonitrile
CID 93280862
3-[1-(2-methoxyethylamino)ethyl]benzonitrile
CID 43756311
(1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81371851
3-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]benzonitrile
CID 43770038

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-cyclopentylethylamino)ethyl]benzonitrile?
The IUPAC name of 3-[1-(2-cyclopentylethylamino)ethyl]benzonitrile (CID 54931681) is 3-[1-(2-cyclopentylethylamino)ethyl]benzonitrile.
What is the SMILES notation for 3-[1-(2-cyclopentylethylamino)ethyl]benzonitrile?
The canonical SMILES for 3-[1-(2-cyclopentylethylamino)ethyl]benzonitrile is CC(NCCC1CCCC1)c1cccc(C#N)c1.
What is the InChIKey of 3-[1-(2-cyclopentylethylamino)ethyl]benzonitrile?
The InChIKey is PANBZVCMNBYBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-13(16-8-4-7-15(11-16)12-17)18-10-9-14-5-2-3-6-14/h4,7-8,11,13-14,18H,2-3,5-6,9-10H2,1H3.
What are the key properties of 3-[1-(2-cyclopentylethylamino)ethyl]benzonitrile?
3-[1-(2-cyclopentylethylamino)ethyl]benzonitrile has a molecular weight of 242.37 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-cyclopentylethylamino)ethyl]benzonitrile is sourced from PubChem (CID 54931681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).