2-(benzylamino)-2-cyclopentylpropanenitrile

C15H20N2 — CID 55096722

IUPAC2-(benzylamino)-2-cyclopentylpropanenitrile
SMILESCC(C#N)(NCc1ccccc1)C1CCCC1
InChIInChI=1S/C15H20N2/c1-15(12-16,14-9-5-6-10-14)17-11-13-7-3-2-4-8-13/h2-4,7-8,14,17H,5-6,9-11H2,1H3
InChIKeyJQHWDLJHINGQHX-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.25
Rot. Bonds4

About 2-(benzylamino)-2-cyclopentylpropanenitrile

2-(benzylamino)-2-cyclopentylpropanenitrile (PubChem CID 55096722) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(benzylamino)-2-cyclopentylpropanenitrile.

Molecular Properties

Compound Name2-(benzylamino)-2-cyclopentylpropanenitrile
PubChem CID55096722
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-(benzylamino)-2-cyclopentylpropanenitrile
SMILESCC(C#N)(NCc1ccccc1)C1CCCC1
InChIInChI=1S/C15H20N2/c1-15(12-16,14-9-5-6-10-14)17-11-13-7-3-2-4-8-13/h2-4,7-8,14,17H,5-6,9-11H2,1H3
InChIKeyJQHWDLJHINGQHX-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-2-pyrrolidin-3-ylpropanenitrile
CID 130856941
N-benzyl-2-cyclopentylpropan-2-amine
CID 115868314
2-(benzylamino)-2-cyclopropylbutanenitrile
CID 64918670
2-(benzylamino)-2-cyclohexylpropanoic acid
CID 63320736
methyl 2-(benzylamino)-2-cyclohexylpropanoate
CID 63320778
2-(benzylamino)-2,3-dimethylpentanenitrile
CID 61006364
2-cyclohexyl-2-phenylmethoxypropanenitrile
CID 154277038
2-(benzylamino)-3-hydroxy-2-methylpropanenitrile
CID 130509146
2-N-benzyl-2-cyclobutylbutane-1,2-diamine
CID 130697657
(2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol
CID 129368100
ethane;N-methylcyclohexanamine;N-methyl-1-phenylmethanamine
CID 162733997
2-cyclohexyl-2-(3-hydroxypropylamino)propanenitrile
CID 62586794

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-cyclopentylpropanenitrile?
The IUPAC name of 2-(benzylamino)-2-cyclopentylpropanenitrile (CID 55096722) is 2-(benzylamino)-2-cyclopentylpropanenitrile.
What is the SMILES notation for 2-(benzylamino)-2-cyclopentylpropanenitrile?
The canonical SMILES for 2-(benzylamino)-2-cyclopentylpropanenitrile is CC(C#N)(NCc1ccccc1)C1CCCC1.
What is the InChIKey of 2-(benzylamino)-2-cyclopentylpropanenitrile?
The InChIKey is JQHWDLJHINGQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-15(12-16,14-9-5-6-10-14)17-11-13-7-3-2-4-8-13/h2-4,7-8,14,17H,5-6,9-11H2,1H3.
What are the key properties of 2-(benzylamino)-2-cyclopentylpropanenitrile?
2-(benzylamino)-2-cyclopentylpropanenitrile has a molecular weight of 228.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-cyclopentylpropanenitrile is sourced from PubChem (CID 55096722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).