3-N-(1-cyclohexylpropyl)-4-methylbenzene-1,3-diamine

C16H26N2 — CID 62589796

IUPAC3-N-(1-cyclohexylpropyl)-4-methylbenzene-1,3-diamine
SMILESCCC(Nc1cc(N)ccc1C)C1CCCCC1
InChIInChI=1S/C16H26N2/c1-3-15(13-7-5-4-6-8-13)18-16-11-14(17)10-9-12(16)2/h9-11,13,15,18H,3-8,17H2,1-2H3
InChIKeyFFJMEXNAVGVNOH-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.35
Rot. Bonds4

About 3-N-(1-cyclohexylpropyl)-4-methylbenzene-1,3-diamine

3-N-(1-cyclohexylpropyl)-4-methylbenzene-1,3-diamine (PubChem CID 62589796) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-N-(1-cyclohexylpropyl)-4-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(1-cyclohexylpropyl)-4-methylbenzene-1,3-diamine
PubChem CID62589796
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-N-(1-cyclohexylpropyl)-4-methylbenzene-1,3-diamine
SMILESCCC(Nc1cc(N)ccc1C)C1CCCCC1
InChIInChI=1S/C16H26N2/c1-3-15(13-7-5-4-6-8-13)18-16-11-14(17)10-9-12(16)2/h9-11,13,15,18H,3-8,17H2,1-2H3
InChIKeyFFJMEXNAVGVNOH-UHFFFAOYSA-N
XLogP4.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-N-(1-cyclohexylpropyl)-4-methylbenzene-1,3-diamine 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

3-N-cyclooctyl-4-methylbenzene-1,3-diamine
CID 62590310
2-N-(1-cyclohexylpropyl)pyridine-2,4-diamine
CID 55069644
4-methyl-3-N-propan-2-ylbenzene-1,3-diamine
CID 62590491
1-N-(1-cyclohexylpropyl)-3-fluorobenzene-1,2-diamine
CID 55068971
1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 63406082
3-amino-4-(1-cyclohexylpropylamino)benzonitrile
CID 62405724
3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide
CID 62407684
N-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride
CID 120569234
3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide
CID 64918833
4-N-(1-cyclohexylpropyl)pyridine-2,4-diamine
CID 113367773
N-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide
CID 120569231
N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline
CID 63540889

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-cyclohexylpropyl)-4-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(1-cyclohexylpropyl)-4-methylbenzene-1,3-diamine (CID 62589796) is 3-N-(1-cyclohexylpropyl)-4-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(1-cyclohexylpropyl)-4-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(1-cyclohexylpropyl)-4-methylbenzene-1,3-diamine is CCC(Nc1cc(N)ccc1C)C1CCCCC1.
What is the InChIKey of 3-N-(1-cyclohexylpropyl)-4-methylbenzene-1,3-diamine?
The InChIKey is FFJMEXNAVGVNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-15(13-7-5-4-6-8-13)18-16-11-14(17)10-9-12(16)2/h9-11,13,15,18H,3-8,17H2,1-2H3.
What are the key properties of 3-N-(1-cyclohexylpropyl)-4-methylbenzene-1,3-diamine?
3-N-(1-cyclohexylpropyl)-4-methylbenzene-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-cyclohexylpropyl)-4-methylbenzene-1,3-diamine is sourced from PubChem (CID 62589796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).