2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile

C14H18N2 — CID 61002347

IUPAC2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile
SMILESCc1ccccc1C(C#N)NC1CCCC1
InChIInChI=1S/C14H18N2/c1-11-6-2-5-9-13(11)14(10-15)16-12-7-3-4-8-12/h2,5-6,9,12,14,16H,3-4,7-8H2,1H3
InChIKeyMZAPZHFAPQSFPZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.09
Rot. Bonds3

About 2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile

2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile (PubChem CID 61002347) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile
PubChem CID61002347
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile
SMILESCc1ccccc1C(C#N)NC1CCCC1
InChIInChI=1S/C14H18N2/c1-11-6-2-5-9-13(11)14(10-15)16-12-7-3-4-8-12/h2,5-6,9,12,14,16H,3-4,7-8H2,1H3
InChIKeyMZAPZHFAPQSFPZ-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile
CID 61002469
2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile
CID 54894619
2-cyclohexyl-2-(2-methylphenyl)acetonitrile
CID 79019577
2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile
CID 114054084
2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile
CID 54894335
2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetonitrile
CID 54894375
2-(cyclopentylamino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62119933
2-(cyclopentylamino)-2-(1H-pyrrol-2-yl)acetonitrile
CID 84816919
2-(cyclopentylamino)-2-(2,4,5-trifluorophenyl)acetonitrile
CID 114058035
2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile
CID 79584630
2-(cycloheptylamino)-2-(5-methylthiophen-2-yl)acetonitrile
CID 61345592
2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile
CID 54894505

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile?
The IUPAC name of 2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile (CID 61002347) is 2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile?
The canonical SMILES for 2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile is Cc1ccccc1C(C#N)NC1CCCC1.
What is the InChIKey of 2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile?
The InChIKey is MZAPZHFAPQSFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-6-2-5-9-13(11)14(10-15)16-12-7-3-4-8-12/h2,5-6,9,12,14,16H,3-4,7-8H2,1H3.
What are the key properties of 2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile?
2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile is sourced from PubChem (CID 61002347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).