5-amino-2-(cyclopentylmethylamino)benzonitrile

C13H17N3 — CID 61296175

IUPAC5-amino-2-(cyclopentylmethylamino)benzonitrile
SMILESN#Cc1cc(N)ccc1NCC1CCCC1
InChIInChI=1S/C13H17N3/c14-8-11-7-12(15)5-6-13(11)16-9-10-3-1-2-4-10/h5-7,10,16H,1-4,9,15H2
InChIKeyARVPWTWLCBABAU-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.74
Rot. Bonds3

About 5-amino-2-(cyclopentylmethylamino)benzonitrile

5-amino-2-(cyclopentylmethylamino)benzonitrile (PubChem CID 61296175) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-amino-2-(cyclopentylmethylamino)benzonitrile.

Molecular Properties

Compound Name5-amino-2-(cyclopentylmethylamino)benzonitrile
PubChem CID61296175
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name5-amino-2-(cyclopentylmethylamino)benzonitrile
SMILESN#Cc1cc(N)ccc1NCC1CCCC1
InChIInChI=1S/C13H17N3/c14-8-11-7-12(15)5-6-13(11)16-9-10-3-1-2-4-10/h5-7,10,16H,1-4,9,15H2
InChIKeyARVPWTWLCBABAU-UHFFFAOYSA-N
XLogP2.74
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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2-amino-3-(cyclobutylmethylamino)benzonitrile
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5-chloro-2-[(4-methylcyclohexyl)methylamino]benzonitrile
CID 63511523
2-(cyclohexylmethylamino)-4-methylbenzonitrile
CID 62308973
5-amino-2-[(3-ethylcyclohexyl)amino]benzonitrile
CID 64749210
5-amino-2-(2,2,2-trifluoroethylamino)benzonitrile
CID 61295779
5-amino-2-(2-hydroxyethylamino)benzonitrile
CID 15827829
5-amino-2-(2,2-dimethylpropylamino)benzonitrile
CID 61296921
4-amino-2-cyano-N-(2-cyclohexylethyl)benzenesulfonamide
CID 60921087
N-(4-amino-2-cyanophenyl)cyclohexanecarboxamide
CID 43548995
5-methyl-2-(piperidin-4-ylmethylamino)benzonitrile
CID 107931532
5-amino-2-(cyclobutylmethylamino)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cyclopentylmethylamino)benzonitrile?
The IUPAC name of 5-amino-2-(cyclopentylmethylamino)benzonitrile (CID 61296175) is 5-amino-2-(cyclopentylmethylamino)benzonitrile.
What is the SMILES notation for 5-amino-2-(cyclopentylmethylamino)benzonitrile?
The canonical SMILES for 5-amino-2-(cyclopentylmethylamino)benzonitrile is N#Cc1cc(N)ccc1NCC1CCCC1.
What is the InChIKey of 5-amino-2-(cyclopentylmethylamino)benzonitrile?
The InChIKey is ARVPWTWLCBABAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c14-8-11-7-12(15)5-6-13(11)16-9-10-3-1-2-4-10/h5-7,10,16H,1-4,9,15H2.
What are the key properties of 5-amino-2-(cyclopentylmethylamino)benzonitrile?
5-amino-2-(cyclopentylmethylamino)benzonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(cyclopentylmethylamino)benzonitrile is sourced from PubChem (CID 61296175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).