3-amino-4-(1-cyclohexylpropylamino)benzonitrile

C16H23N3 — CID 62405724

IUPAC3-amino-4-(1-cyclohexylpropylamino)benzonitrile
SMILESCCC(Nc1ccc(C#N)cc1N)C1CCCCC1
InChIInChI=1S/C16H23N3/c1-2-15(13-6-4-3-5-7-13)19-16-9-8-12(11-17)10-14(16)18/h8-10,13,15,19H,2-7,18H2,1H3
InChIKeyRSGDHXSYWNBLKE-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.91
Rot. Bonds4

About 3-amino-4-(1-cyclohexylpropylamino)benzonitrile

3-amino-4-(1-cyclohexylpropylamino)benzonitrile (PubChem CID 62405724) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-amino-4-(1-cyclohexylpropylamino)benzonitrile.

Molecular Properties

Compound Name3-amino-4-(1-cyclohexylpropylamino)benzonitrile
PubChem CID62405724
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-amino-4-(1-cyclohexylpropylamino)benzonitrile
SMILESCCC(Nc1ccc(C#N)cc1N)C1CCCCC1
InChIInChI=1S/C16H23N3/c1-2-15(13-6-4-3-5-7-13)19-16-9-8-12(11-17)10-14(16)18/h8-10,13,15,19H,2-7,18H2,1H3
InChIKeyRSGDHXSYWNBLKE-UHFFFAOYSA-N
XLogP3.91
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-(1-cyclohexylpropylamino)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 63406082
3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide
CID 62407684
3-amino-4-[[(2S)-butan-2-yl]amino]benzonitrile
CID 93094061
3-amino-4-(dicyclopropylmethylamino)benzonitrile
CID 54958712
2-(1-cyclohexylpropylamino)-5-fluorobenzonitrile
CID 55234496
4-bromo-2-(1-cyclohexylpropylamino)benzonitrile
CID 114901777
3-N-(1-cyclohexylpropyl)-4-methylbenzene-1,3-diamine
CID 62589796
3-(1-cyclohexylpropylamino)-5-fluorobenzonitrile
CID 102816195
3-amino-4-[[(2S)-pentan-2-yl]amino]benzonitrile
CID 93094065
3-amino-4-(cyclopropylamino)benzonitrile
CID 43517994
3-(1-cyclopropylpropylamino)benzonitrile
CID 64918582
3-amino-4-(hexan-2-ylamino)benzonitrile
CID 62196415

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1-cyclohexylpropylamino)benzonitrile?
The IUPAC name of 3-amino-4-(1-cyclohexylpropylamino)benzonitrile (CID 62405724) is 3-amino-4-(1-cyclohexylpropylamino)benzonitrile.
What is the SMILES notation for 3-amino-4-(1-cyclohexylpropylamino)benzonitrile?
The canonical SMILES for 3-amino-4-(1-cyclohexylpropylamino)benzonitrile is CCC(Nc1ccc(C#N)cc1N)C1CCCCC1.
What is the InChIKey of 3-amino-4-(1-cyclohexylpropylamino)benzonitrile?
The InChIKey is RSGDHXSYWNBLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-15(13-6-4-3-5-7-13)19-16-9-8-12(11-17)10-14(16)18/h8-10,13,15,19H,2-7,18H2,1H3.
What are the key properties of 3-amino-4-(1-cyclohexylpropylamino)benzonitrile?
3-amino-4-(1-cyclohexylpropylamino)benzonitrile has a molecular weight of 257.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1-cyclohexylpropylamino)benzonitrile is sourced from PubChem (CID 62405724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).