3-N-(2-ethylcyclohexyl)-3-N-methylbenzene-1,3-diamine

C15H24N2 — CID 55251570

IUPAC3-N-(2-ethylcyclohexyl)-3-N-methylbenzene-1,3-diamine
SMILESCCC1CCCCC1N(C)c1cccc(N)c1
InChIInChI=1S/C15H24N2/c1-3-12-7-4-5-10-15(12)17(2)14-9-6-8-13(16)11-14/h6,8-9,11-12,15H,3-5,7,10,16H2,1-2H3
InChIKeyJKTHNPHHVSMDJP-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.67
Rot. Bonds3

About 3-N-(2-ethylcyclohexyl)-3-N-methylbenzene-1,3-diamine

3-N-(2-ethylcyclohexyl)-3-N-methylbenzene-1,3-diamine (PubChem CID 55251570) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-N-(2-ethylcyclohexyl)-3-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-ethylcyclohexyl)-3-N-methylbenzene-1,3-diamine
PubChem CID55251570
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-N-(2-ethylcyclohexyl)-3-N-methylbenzene-1,3-diamine
SMILESCCC1CCCCC1N(C)c1cccc(N)c1
InChIInChI=1S/C15H24N2/c1-3-12-7-4-5-10-15(12)17(2)14-9-6-8-13(16)11-14/h6,8-9,11-12,15H,3-5,7,10,16H2,1-2H3
InChIKeyJKTHNPHHVSMDJP-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
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

2-N-(2-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine
CID 63861614
3-N-cycloheptyl-3-N-methylbenzene-1,3-diamine
CID 43613770
3-N-methyl-3-N-(2-methyloxolan-3-yl)benzene-1,3-diamine
CID 82741229
3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine
CID 55004205
3-N-butan-2-yl-3-N-methylbenzene-1,3-diamine
CID 43272599
3-N-methyl-3-N-(oxan-3-yl)benzene-1,3-diamine
CID 107135022
3-(N-(2-ethylcyclohexyl)anilino)propanethioamide
CID 63863592
2-(N-(2-ethylcyclohexyl)anilino)acetic acid
CID 63861803
3-N-(4-ethylcyclohexyl)-3-N-propylbenzene-1,3-diamine
CID 64748721
3-(2-ethylcyclohexyl)sulfanyl-4-methylaniline
CID 79141261
2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine
CID 60725521
cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine
CID 158995956

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethylcyclohexyl)-3-N-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(2-ethylcyclohexyl)-3-N-methylbenzene-1,3-diamine (CID 55251570) is 3-N-(2-ethylcyclohexyl)-3-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-ethylcyclohexyl)-3-N-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(2-ethylcyclohexyl)-3-N-methylbenzene-1,3-diamine is CCC1CCCCC1N(C)c1cccc(N)c1.
What is the InChIKey of 3-N-(2-ethylcyclohexyl)-3-N-methylbenzene-1,3-diamine?
The InChIKey is JKTHNPHHVSMDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-12-7-4-5-10-15(12)17(2)14-9-6-8-13(16)11-14/h6,8-9,11-12,15H,3-5,7,10,16H2,1-2H3.
What are the key properties of 3-N-(2-ethylcyclohexyl)-3-N-methylbenzene-1,3-diamine?
3-N-(2-ethylcyclohexyl)-3-N-methylbenzene-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethylcyclohexyl)-3-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 55251570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).