1-(3,5-dimethylcyclohexyl)-N-methyl-3-methylsulfanylpropan-1-amine

C13H27NS — CID 105154329

IUPAC1-(3,5-dimethylcyclohexyl)-N-methyl-3-methylsulfanylpropan-1-amine
SMILESCNC(CCSC)C1CC(C)CC(C)C1
InChIInChI=1S/C13H27NS/c1-10-7-11(2)9-12(8-10)13(14-3)5-6-15-4/h10-14H,5-9H2,1-4H3
InChIKeyLJKALQVKZUJGCT-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.40
Rot. Bonds5

About 1-(3,5-dimethylcyclohexyl)-N-methyl-3-methylsulfanylpropan-1-amine

1-(3,5-dimethylcyclohexyl)-N-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 105154329) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-N-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-N-methyl-3-methylsulfanylpropan-1-amine
PubChem CID105154329
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name1-(3,5-dimethylcyclohexyl)-N-methyl-3-methylsulfanylpropan-1-amine
SMILESCNC(CCSC)C1CC(C)CC(C)C1
InChIInChI=1S/C13H27NS/c1-10-7-11(2)9-12(8-10)13(14-3)5-6-15-4/h10-14H,5-9H2,1-4H3
InChIKeyLJKALQVKZUJGCT-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-dimethylcyclohexyl)-N-methyl-3-methylsulfanylpropan-1-amine 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-(3,5-dimethylcyclohexyl)-N-methyloctan-1-amine
CID 104989051
N-methyl-1-(1-methylpiperidin-4-yl)-3-methylsulfanylpropan-1-amine
CID 116831672
1-(3,5-dimethylcyclohexyl)-N-methyl-2-methylsulfonylethanamine
CID 115643065
1-(3,5-dimethylcyclohexyl)-N-methyl-2-propoxyethanamine
CID 64728708
1-(3,5-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 64730116
1-(3,5-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 64731313
1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methylsulfanylpropan-1-amine
CID 105154521
1-(3,5-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine
CID 64731111
(1-cyclobutyl-3-methylsulfanylpropyl)hydrazine
CID 105340133
3-methoxy-N-methyl-1-(4-methylcyclohexyl)propan-1-amine
CID 62604714
N-methyl-1-(3-methylcyclobutyl)ethanamine
CID 103565343
2-(3,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylethanamine
CID 104988926

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-N-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-N-methyl-3-methylsulfanylpropan-1-amine (CID 105154329) is 1-(3,5-dimethylcyclohexyl)-N-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-N-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-N-methyl-3-methylsulfanylpropan-1-amine is CNC(CCSC)C1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-N-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is LJKALQVKZUJGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-10-7-11(2)9-12(8-10)13(14-3)5-6-15-4/h10-14H,5-9H2,1-4H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-N-methyl-3-methylsulfanylpropan-1-amine?
1-(3,5-dimethylcyclohexyl)-N-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 229.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-N-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 105154329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).