2-(benzylamino)-3-cyclopentylpropanenitrile

C15H20N2 — CID 130949938

IUPAC2-(benzylamino)-3-cyclopentylpropanenitrile
SMILESN#CC(CC1CCCC1)NCc1ccccc1
InChIInChI=1S/C15H20N2/c16-11-15(10-13-6-4-5-7-13)17-12-14-8-2-1-3-9-14/h1-3,8-9,13,15,17H,4-7,10,12H2
InChIKeyWDXLYSXCOZGOKR-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.25
Rot. Bonds5

About 2-(benzylamino)-3-cyclopentylpropanenitrile

2-(benzylamino)-3-cyclopentylpropanenitrile (PubChem CID 130949938) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(benzylamino)-3-cyclopentylpropanenitrile.

Molecular Properties

Compound Name2-(benzylamino)-3-cyclopentylpropanenitrile
PubChem CID130949938
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-(benzylamino)-3-cyclopentylpropanenitrile
SMILESN#CC(CC1CCCC1)NCc1ccccc1
InChIInChI=1S/C15H20N2/c16-11-15(10-13-6-4-5-7-13)17-12-14-8-2-1-3-9-14/h1-3,8-9,13,15,17H,4-7,10,12H2
InChIKeyWDXLYSXCOZGOKR-UHFFFAOYSA-N
XLogP3.25
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

N-benzyl-1-cyclopentylpropan-2-amine
CID 71379591
2-(benzylamino)-3-(1-methylcyclopropyl)propanenitrile
CID 167012631
N-benzyl-3-cyclobutyl-1,1-dimethoxypropan-2-amine
CID 46855579
(2R)-2-(benzylamino)propanenitrile
CID 28702462
(1S)-N-benzyl-1-cyclohexylbut-3-en-1-amine
CID 10922765
(2S)-2-(benzylamino)-2-phenylacetonitrile
CID 10619409
N-benzyl-1-cyclopropyl-2,2-difluoroethanamine
CID 131114338
(2S)-2-(benzylamino)-3-ethylpentanenitrile
CID 100926480
2-(cyclopropylamino)-3-phenylpropanenitrile
CID 43151723
2-(benzylamino)-3,3-dimethylbutanenitrile
CID 10679630
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118
(2R)-2-(benzylamino)-2-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]acetonitrile
CID 124674166

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-3-cyclopentylpropanenitrile?
The IUPAC name of 2-(benzylamino)-3-cyclopentylpropanenitrile (CID 130949938) is 2-(benzylamino)-3-cyclopentylpropanenitrile.
What is the SMILES notation for 2-(benzylamino)-3-cyclopentylpropanenitrile?
The canonical SMILES for 2-(benzylamino)-3-cyclopentylpropanenitrile is N#CC(CC1CCCC1)NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-3-cyclopentylpropanenitrile?
The InChIKey is WDXLYSXCOZGOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c16-11-15(10-13-6-4-5-7-13)17-12-14-8-2-1-3-9-14/h1-3,8-9,13,15,17H,4-7,10,12H2.
What are the key properties of 2-(benzylamino)-3-cyclopentylpropanenitrile?
2-(benzylamino)-3-cyclopentylpropanenitrile has a molecular weight of 228.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-3-cyclopentylpropanenitrile is sourced from PubChem (CID 130949938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).