2-amino-3-(2-cyclopentylethylamino)benzonitrile

C14H19N3 — CID 104716387

IUPAC2-amino-3-(2-cyclopentylethylamino)benzonitrile
SMILESN#Cc1cccc(NCCC2CCCC2)c1N
InChIInChI=1S/C14H19N3/c15-10-12-6-3-7-13(14(12)16)17-9-8-11-4-1-2-5-11/h3,6-7,11,17H,1-2,4-5,8-9,16H2
InChIKeyOVHZHIMOUFBXMS-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.13
Rot. Bonds4

About 2-amino-3-(2-cyclopentylethylamino)benzonitrile

2-amino-3-(2-cyclopentylethylamino)benzonitrile (PubChem CID 104716387) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-amino-3-(2-cyclopentylethylamino)benzonitrile.

Molecular Properties

Compound Name2-amino-3-(2-cyclopentylethylamino)benzonitrile
PubChem CID104716387
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-amino-3-(2-cyclopentylethylamino)benzonitrile
SMILESN#Cc1cccc(NCCC2CCCC2)c1N
InChIInChI=1S/C14H19N3/c15-10-12-6-3-7-13(14(12)16)17-9-8-11-4-1-2-5-11/h3,6-7,11,17H,1-2,4-5,8-9,16H2
InChIKeyOVHZHIMOUFBXMS-UHFFFAOYSA-N
XLogP3.13
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.13
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

2-amino-3-(cyclobutylmethylamino)benzonitrile
CID 104716296
3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile
CID 82816968
2-amino-3-(2-pyrrolidin-1-ylethylamino)benzonitrile
CID 104716677
2-amino-3-[(1-methylpiperidin-2-yl)methylamino]benzonitrile
CID 104716575
3-(2-amino-3-cyanoanilino)propanamide
CID 104716331
2-amino-3-(2-methylbutan-2-ylamino)benzonitrile
CID 104716196
2-amino-3-[(1-hydroxycyclopentyl)methylamino]benzonitrile
CID 104716841
2-amino-3-(3-methylsulfanylpropylamino)benzonitrile
CID 104716786
2-amino-3-[3-(2-hydroxyethoxy)propylamino]benzonitrile
CID 106308832
2-amino-3-(3-methylsulfonylpropylamino)benzonitrile
CID 113444736
2-amino-3-(2-phenoxyethylamino)benzonitrile
CID 104716563
3-(2-amino-3-cyanoanilino)-N-tert-butylpropanamide
CID 104717058

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-cyclopentylethylamino)benzonitrile?
The IUPAC name of 2-amino-3-(2-cyclopentylethylamino)benzonitrile (CID 104716387) is 2-amino-3-(2-cyclopentylethylamino)benzonitrile.
What is the SMILES notation for 2-amino-3-(2-cyclopentylethylamino)benzonitrile?
The canonical SMILES for 2-amino-3-(2-cyclopentylethylamino)benzonitrile is N#Cc1cccc(NCCC2CCCC2)c1N.
What is the InChIKey of 2-amino-3-(2-cyclopentylethylamino)benzonitrile?
The InChIKey is OVHZHIMOUFBXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c15-10-12-6-3-7-13(14(12)16)17-9-8-11-4-1-2-5-11/h3,6-7,11,17H,1-2,4-5,8-9,16H2.
What are the key properties of 2-amino-3-(2-cyclopentylethylamino)benzonitrile?
2-amino-3-(2-cyclopentylethylamino)benzonitrile has a molecular weight of 229.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-cyclopentylethylamino)benzonitrile is sourced from PubChem (CID 104716387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).