2-methyl-N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine

C19H33NS — CID 81026188

IUPAC2-methyl-N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
SMILESCc1cc(C2CC(C(C)C)CCC2CNCC(C)C)cs1
InChIInChI=1S/C19H33NS/c1-13(2)10-20-11-17-7-6-16(14(3)4)9-19(17)18-8-15(5)21-12-18/h8,12-14,16-17,19-20H,6-7,9-11H2,1-5H3
InChIKeyJQGXZFQSIOCMTL-UHFFFAOYSA-N
MW307.55 g/mol
LogP5.46
Rot. Bonds6

About 2-methyl-N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine

2-methyl-N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine (PubChem CID 81026188) has the molecular formula C19H33NS and a molecular weight of 307.55 g/mol. Its IUPAC name is 2-methyl-N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
PubChem CID81026188
Molecular FormulaC19H33NS
Molecular Weight307.55 g/mol
Exact Mass307.23
IUPAC Name2-methyl-N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
SMILESCc1cc(C2CC(C(C)C)CCC2CNCC(C)C)cs1
InChIInChI=1S/C19H33NS/c1-13(2)10-20-11-17-7-6-16(14(3)4)9-19(17)18-8-15(5)21-12-18/h8,12-14,16-17,19-20H,6-7,9-11H2,1-5H3
InChIKeyJQGXZFQSIOCMTL-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-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-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81030590
N-[[2-(5-methylthiophen-3-yl)cyclobutyl]methyl]ethanamine
CID 81018114
N-[[2-(4-bromothiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81026302
N-[[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine
CID 81032270
N-[[2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine
CID 81026774
2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 81030526
N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81034007
N-methyl-1-[2-(5-methylthiophen-3-yl)cyclohexyl]methanamine
CID 81028667
2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 107889423
[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methanamine
CID 81010311
N-[[4,4-dimethyl-2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-1-amine
CID 81030279
N-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81032140

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine (CID 81026188) is 2-methyl-N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine is Cc1cc(C2CC(C(C)C)CCC2CNCC(C)C)cs1.
What is the InChIKey of 2-methyl-N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
The InChIKey is JQGXZFQSIOCMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NS/c1-13(2)10-20-11-17-7-6-16(14(3)4)9-19(17)18-8-15(5)21-12-18/h8,12-14,16-17,19-20H,6-7,9-11H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
2-methyl-N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine has a molecular weight of 307.55 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81026188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).