2-amino-3-[(4-methylcyclohexyl)amino]benzonitrile

C14H19N3 — CID 104716184

IUPAC2-amino-3-[(4-methylcyclohexyl)amino]benzonitrile
SMILESCC1CCC(Nc2cccc(C#N)c2N)CC1
InChIInChI=1S/C14H19N3/c1-10-5-7-12(8-6-10)17-13-4-2-3-11(9-15)14(13)16/h2-4,10,12,17H,5-8,16H2,1H3
InChIKeySQXFLTHLRCPDTL-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.13
Rot. Bonds2

About 2-amino-3-[(4-methylcyclohexyl)amino]benzonitrile

2-amino-3-[(4-methylcyclohexyl)amino]benzonitrile (PubChem CID 104716184) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-amino-3-[(4-methylcyclohexyl)amino]benzonitrile.

Molecular Properties

Compound Name2-amino-3-[(4-methylcyclohexyl)amino]benzonitrile
PubChem CID104716184
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-amino-3-[(4-methylcyclohexyl)amino]benzonitrile
SMILESCC1CCC(Nc2cccc(C#N)c2N)CC1
InChIInChI=1S/C14H19N3/c1-10-5-7-12(8-6-10)17-13-4-2-3-11(9-15)14(13)16/h2-4,10,12,17H,5-8,16H2,1H3
InChIKeySQXFLTHLRCPDTL-UHFFFAOYSA-N
XLogP3.13
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

3-chloro-1-N-(4-methylcyclohexyl)benzene-1,2-diamine
CID 104833978
2-amino-3-[(2-methoxycyclopentyl)amino]benzonitrile
CID 113444746
2-amino-3-[(5-oxopyrrolidin-3-yl)amino]benzonitrile
CID 106182731
2-amino-5-[(4-methylcyclohexyl)amino]benzonitrile
CID 104963338
2-(cyclopentylamino)benzonitrile
CID 10535560
3-[(4-methylcyclohexyl)amino]pyridazine-4-carbonitrile
CID 80509395
2-amino-3-(cyclobutylmethylamino)benzonitrile
CID 104716296
3-[(4-methylcycloheptyl)amino]pyridine-4-carbonitrile
CID 102809585
2-amino-3-(4-bromo-2,6-dimethylanilino)benzonitrile
CID 104716856
2-methyl-3-[(4-methylcyclohexyl)amino]benzamide
CID 43694058
3-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine
CID 114543233
3-N-cyclohexylbenzene-1,2,3-triamine
CID 14942290

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(4-methylcyclohexyl)amino]benzonitrile?
The IUPAC name of 2-amino-3-[(4-methylcyclohexyl)amino]benzonitrile (CID 104716184) is 2-amino-3-[(4-methylcyclohexyl)amino]benzonitrile.
What is the SMILES notation for 2-amino-3-[(4-methylcyclohexyl)amino]benzonitrile?
The canonical SMILES for 2-amino-3-[(4-methylcyclohexyl)amino]benzonitrile is CC1CCC(Nc2cccc(C#N)c2N)CC1.
What is the InChIKey of 2-amino-3-[(4-methylcyclohexyl)amino]benzonitrile?
The InChIKey is SQXFLTHLRCPDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-5-7-12(8-6-10)17-13-4-2-3-11(9-15)14(13)16/h2-4,10,12,17H,5-8,16H2,1H3.
What are the key properties of 2-amino-3-[(4-methylcyclohexyl)amino]benzonitrile?
2-amino-3-[(4-methylcyclohexyl)amino]benzonitrile has a molecular weight of 229.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(4-methylcyclohexyl)amino]benzonitrile is sourced from PubChem (CID 104716184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).