3-N,2-dimethyl-3-N-(4-methylcyclohexyl)benzene-1,3-diamine

C15H24N2 — CID 63076254

IUPAC3-N,2-dimethyl-3-N-(4-methylcyclohexyl)benzene-1,3-diamine
SMILESCc1c(N)cccc1N(C)C1CCC(C)CC1
InChIInChI=1S/C15H24N2/c1-11-7-9-13(10-8-11)17(3)15-6-4-5-14(16)12(15)2/h4-6,11,13H,7-10,16H2,1-3H3
InChIKeyUVZHECVXDKXUBB-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.59
Rot. Bonds2

About 3-N,2-dimethyl-3-N-(4-methylcyclohexyl)benzene-1,3-diamine

3-N,2-dimethyl-3-N-(4-methylcyclohexyl)benzene-1,3-diamine (PubChem CID 63076254) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-N,2-dimethyl-3-N-(4-methylcyclohexyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,2-dimethyl-3-N-(4-methylcyclohexyl)benzene-1,3-diamine
PubChem CID63076254
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-N,2-dimethyl-3-N-(4-methylcyclohexyl)benzene-1,3-diamine
SMILESCc1c(N)cccc1N(C)C1CCC(C)CC1
InChIInChI=1S/C15H24N2/c1-11-7-9-13(10-8-11)17(3)15-6-4-5-14(16)12(15)2/h4-6,11,13H,7-10,16H2,1-3H3
InChIKeyUVZHECVXDKXUBB-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-cyclopentyl-3-N,2-dimethylbenzene-1,3-diamine
CID 63077474
2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
CID 43264707
2-methyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 61439450
3-amino-2-[methyl-(4-methylcyclohexyl)amino]benzamide
CID 112578354
2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline
CID 78934792
2-N-cyclopentyl-2-N-methylbenzene-1,2-diamine
CID 43266943
4-fluoro-2-N-methyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
CID 62376622
2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 61437395
8-N-methyl-8-N-(4-methylcyclohexyl)isoquinoline-5,8-diamine
CID 103137554
2-N-ethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
CID 64747727
(1R)-1-[2-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
CID 55182840
2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63817071

Frequently Asked Questions

What is the IUPAC name of 3-N,2-dimethyl-3-N-(4-methylcyclohexyl)benzene-1,3-diamine?
The IUPAC name of 3-N,2-dimethyl-3-N-(4-methylcyclohexyl)benzene-1,3-diamine (CID 63076254) is 3-N,2-dimethyl-3-N-(4-methylcyclohexyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N,2-dimethyl-3-N-(4-methylcyclohexyl)benzene-1,3-diamine?
The canonical SMILES for 3-N,2-dimethyl-3-N-(4-methylcyclohexyl)benzene-1,3-diamine is Cc1c(N)cccc1N(C)C1CCC(C)CC1.
What is the InChIKey of 3-N,2-dimethyl-3-N-(4-methylcyclohexyl)benzene-1,3-diamine?
The InChIKey is UVZHECVXDKXUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-7-9-13(10-8-11)17(3)15-6-4-5-14(16)12(15)2/h4-6,11,13H,7-10,16H2,1-3H3.
What are the key properties of 3-N,2-dimethyl-3-N-(4-methylcyclohexyl)benzene-1,3-diamine?
3-N,2-dimethyl-3-N-(4-methylcyclohexyl)benzene-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,2-dimethyl-3-N-(4-methylcyclohexyl)benzene-1,3-diamine is sourced from PubChem (CID 63076254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).