4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine

C13H27NS — CID 65079994

IUPAC4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine
SMILESCSCC(C)CNC1CCCC(C)CC1
InChIInChI=1S/C13H27NS/c1-11-5-4-6-13(8-7-11)14-9-12(2)10-15-3/h11-14H,4-10H2,1-3H3
InChIKeyJUTWXMWRHZPLNT-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.54
Rot. Bonds5

About 4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine

4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine (PubChem CID 65079994) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine
PubChem CID65079994
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine
SMILESCSCC(C)CNC1CCCC(C)CC1
InChIInChI=1S/C13H27NS/c1-11-5-4-6-13(8-7-11)14-9-12(2)10-15-3/h11-14H,4-10H2,1-3H3
InChIKeyJUTWXMWRHZPLNT-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-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

N-(2-methyl-3-methylsulfanylpropyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091044
N-(2-methyl-3-methylsulfanylpropyl)-4-propylcycloheptan-1-amine
CID 65091091
2-methyl-3-[(4-methylcycloheptyl)amino]propan-1-ol
CID 65079742
3-methyl-N-(2-methyl-3-methylsulfanylpropyl)cyclobutan-1-amine
CID 104859794
N-(2-methyl-3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755687
N-(2-methyl-5-methylsulfanylpentyl)cyclobutanamine
CID 114899187
N-(2,2-diethoxyethyl)-4-methylcycloheptan-1-amine
CID 79547423
3-ethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclopentan-1-amine
CID 64500716
2-(cyclopropylamino)-N-(2-methyl-3-methylsulfanylpropyl)acetamide
CID 63960182
N-[2-methyl-3-(2-methylbutylsulfanyl)propyl]cyclopropanamine
CID 107754143
N-[2-methyl-3-(3-methylbutan-2-ylsulfanyl)propyl]cyclopropanamine
CID 107754118
1-methoxy-3-[(4-methylcycloheptyl)amino]propan-2-ol
CID 65080146

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine?
The IUPAC name of 4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine (CID 65079994) is 4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine.
What is the SMILES notation for 4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine?
The canonical SMILES for 4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine is CSCC(C)CNC1CCCC(C)CC1.
What is the InChIKey of 4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine?
The InChIKey is JUTWXMWRHZPLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-11-5-4-6-13(8-7-11)14-9-12(2)10-15-3/h11-14H,4-10H2,1-3H3.
What are the key properties of 4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine?
4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine has a molecular weight of 229.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine is sourced from PubChem (CID 65079994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).