4-amino-3-[2-cyclopentylethyl(methyl)amino]benzonitrile

C15H21N3 — CID 115127341

IUPAC4-amino-3-[2-cyclopentylethyl(methyl)amino]benzonitrile
SMILESCN(CCC1CCCC1)c1cc(C#N)ccc1N
InChIInChI=1S/C15H21N3/c1-18(9-8-12-4-2-3-5-12)15-10-13(11-16)6-7-14(15)17/h6-7,10,12H,2-5,8-9,17H2,1H3
InChIKeyHTFRWSUSKNJSQE-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.16
Rot. Bonds4

About 4-amino-3-[2-cyclopentylethyl(methyl)amino]benzonitrile

4-amino-3-[2-cyclopentylethyl(methyl)amino]benzonitrile (PubChem CID 115127341) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-amino-3-[2-cyclopentylethyl(methyl)amino]benzonitrile.

Molecular Properties

Compound Name4-amino-3-[2-cyclopentylethyl(methyl)amino]benzonitrile
PubChem CID115127341
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-amino-3-[2-cyclopentylethyl(methyl)amino]benzonitrile
SMILESCN(CCC1CCCC1)c1cc(C#N)ccc1N
InChIInChI=1S/C15H21N3/c1-18(9-8-12-4-2-3-5-12)15-10-13(11-16)6-7-14(15)17/h6-7,10,12H,2-5,8-9,17H2,1H3
InChIKeyHTFRWSUSKNJSQE-UHFFFAOYSA-N
XLogP3.16
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]benzonitrile
CID 115127345
4-amino-3-[2-hydroxyethyl(methyl)amino]benzonitrile
CID 104711488
4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzonitrile
CID 104712233
4-amino-3-[cyclopentyl(ethyl)amino]benzonitrile
CID 113444114
4-amino-3-[methyl(2-propan-2-yloxyethyl)amino]benzonitrile
CID 104712165
2-[2-cyclohexylethyl(methyl)amino]benzonitrile
CID 114191196
4-amino-3-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]benzonitrile
CID 115127340
4-amino-3-[methyl(propan-2-yl)amino]benzonitrile
CID 104711322
4-amino-3-[tert-butyl(methyl)amino]benzonitrile
CID 115127229
4-amino-3-[methyl(2-methylbutan-2-yl)amino]benzonitrile
CID 104711992
4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzonitrile
CID 104711530
4-N-(2-cyclohexylethyl)-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115124009

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-cyclopentylethyl(methyl)amino]benzonitrile?
The IUPAC name of 4-amino-3-[2-cyclopentylethyl(methyl)amino]benzonitrile (CID 115127341) is 4-amino-3-[2-cyclopentylethyl(methyl)amino]benzonitrile.
What is the SMILES notation for 4-amino-3-[2-cyclopentylethyl(methyl)amino]benzonitrile?
The canonical SMILES for 4-amino-3-[2-cyclopentylethyl(methyl)amino]benzonitrile is CN(CCC1CCCC1)c1cc(C#N)ccc1N.
What is the InChIKey of 4-amino-3-[2-cyclopentylethyl(methyl)amino]benzonitrile?
The InChIKey is HTFRWSUSKNJSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-18(9-8-12-4-2-3-5-12)15-10-13(11-16)6-7-14(15)17/h6-7,10,12H,2-5,8-9,17H2,1H3.
What are the key properties of 4-amino-3-[2-cyclopentylethyl(methyl)amino]benzonitrile?
4-amino-3-[2-cyclopentylethyl(methyl)amino]benzonitrile has a molecular weight of 243.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-cyclopentylethyl(methyl)amino]benzonitrile is sourced from PubChem (CID 115127341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).