3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine

C15H24N2 — CID 62589993

IUPAC3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine
SMILESCc1ccc(N)cc1N(C)CC1CCCCC1
InChIInChI=1S/C15H24N2/c1-12-8-9-14(16)10-15(12)17(2)11-13-6-4-3-5-7-13/h8-10,13H,3-7,11,16H2,1-2H3
InChIKeyBFICQSMLQIKHEY-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.59
Rot. Bonds3

About 3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine

3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine (PubChem CID 62589993) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine
PubChem CID62589993
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine
SMILESCc1ccc(N)cc1N(C)CC1CCCCC1
InChIInChI=1S/C15H24N2/c1-12-8-9-14(16)10-15(12)17(2)11-13-6-4-3-5-7-13/h8-10,13H,3-7,11,16H2,1-2H3
InChIKeyBFICQSMLQIKHEY-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine
CID 55091165
5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081
5-amino-2-[cyclobutylmethyl(methyl)amino]benzonitrile
CID 62862519
3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine
CID 62588869
1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine
CID 66063936
5-amino-2-[cyclopentylmethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103287062
N-[(4-aminocyclohexyl)methyl]-N,2,4,5-tetramethylaniline
CID 115213393
3-(cyclohexylmethoxy)-4-methylaniline
CID 43520190
2-(aminomethyl)-N-(cyclohexylmethyl)-N,5-dimethylaniline
CID 62307441
5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide
CID 120632735
5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide
CID 120629879
2-N-(cyclohexylmethyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine
CID 79890340

Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine?
The IUPAC name of 3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine (CID 62589993) is 3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine is Cc1ccc(N)cc1N(C)CC1CCCCC1.
What is the InChIKey of 3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine?
The InChIKey is BFICQSMLQIKHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-8-9-14(16)10-15(12)17(2)11-13-6-4-3-5-7-13/h8-10,13H,3-7,11,16H2,1-2H3.
What are the key properties of 3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine?
3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 62589993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).