4-amino-3-[cyclopentyl(ethyl)amino]benzonitrile

C14H19N3 — CID 113444114

IUPAC4-amino-3-[cyclopentyl(ethyl)amino]benzonitrile
SMILESCCN(c1cc(C#N)ccc1N)C1CCCC1
InChIInChI=1S/C14H19N3/c1-2-17(12-5-3-4-6-12)14-9-11(10-15)7-8-13(14)16/h7-9,12H,2-6,16H2,1H3
InChIKeyIALAWWCMLFBAOZ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.91
Rot. Bonds3

About 4-amino-3-[cyclopentyl(ethyl)amino]benzonitrile

4-amino-3-[cyclopentyl(ethyl)amino]benzonitrile (PubChem CID 113444114) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-amino-3-[cyclopentyl(ethyl)amino]benzonitrile.

Molecular Properties

Compound Name4-amino-3-[cyclopentyl(ethyl)amino]benzonitrile
PubChem CID113444114
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-amino-3-[cyclopentyl(ethyl)amino]benzonitrile
SMILESCCN(c1cc(C#N)ccc1N)C1CCCC1
InChIInChI=1S/C14H19N3/c1-2-17(12-5-3-4-6-12)14-9-11(10-15)7-8-13(14)16/h7-9,12H,2-6,16H2,1H3
InChIKeyIALAWWCMLFBAOZ-UHFFFAOYSA-N
XLogP2.91
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.91
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

3-bromo-4-[cyclopropyl(ethyl)amino]benzonitrile
CID 82797601
4-amino-3-[2-cyclopentylethyl(methyl)amino]benzonitrile
CID 115127341
4-bromo-2-N-cyclopropyl-2-N-ethylbenzene-1,2-diamine
CID 65343619
4-amino-3-[cyclohexyl(ethyl)amino]-N,N-dimethylbenzamide
CID 63360545
4-amino-3-[butan-2-yl(ethyl)amino]benzonitrile
CID 104711503
5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile
CID 62494913
4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine
CID 43540845
4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide
CID 82907914
4-amino-3-[methyl(2-methylbutan-2-yl)amino]benzonitrile
CID 104711992
2-N-cyclopentyl-2-N-ethyl-3,4-difluorobenzene-1,2-diamine
CID 62532833
2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile
CID 78958816
1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine
CID 28972591

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[cyclopentyl(ethyl)amino]benzonitrile?
The IUPAC name of 4-amino-3-[cyclopentyl(ethyl)amino]benzonitrile (CID 113444114) is 4-amino-3-[cyclopentyl(ethyl)amino]benzonitrile.
What is the SMILES notation for 4-amino-3-[cyclopentyl(ethyl)amino]benzonitrile?
The canonical SMILES for 4-amino-3-[cyclopentyl(ethyl)amino]benzonitrile is CCN(c1cc(C#N)ccc1N)C1CCCC1.
What is the InChIKey of 4-amino-3-[cyclopentyl(ethyl)amino]benzonitrile?
The InChIKey is IALAWWCMLFBAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-17(12-5-3-4-6-12)14-9-11(10-15)7-8-13(14)16/h7-9,12H,2-6,16H2,1H3.
What are the key properties of 4-amino-3-[cyclopentyl(ethyl)amino]benzonitrile?
4-amino-3-[cyclopentyl(ethyl)amino]benzonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[cyclopentyl(ethyl)amino]benzonitrile is sourced from PubChem (CID 113444114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).