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

C18H31NS — CID 81030590

IUPACN-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
SMILESCc1cc(C2CC(C(C)C)CCC2CNC(C)C)cs1
InChIInChI=1S/C18H31NS/c1-12(2)15-6-7-16(10-19-13(3)4)18(9-15)17-8-14(5)20-11-17/h8,11-13,15-16,18-19H,6-7,9-10H2,1-5H3
InChIKeyWCQXGQPZVSSRPD-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.21
Rot. Bonds5

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

N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine (PubChem CID 81030590) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
PubChem CID81030590
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC NameN-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
SMILESCc1cc(C2CC(C(C)C)CCC2CNC(C)C)cs1
InChIInChI=1S/C18H31NS/c1-12(2)15-6-7-16(10-19-13(3)4)18(9-15)17-8-14(5)20-11-17/h8,11-13,15-16,18-19H,6-7,9-10H2,1-5H3
InChIKeyWCQXGQPZVSSRPD-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.52
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-methyl-N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 81026188
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
N-[[2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81025143
N-[[2-(5-methylthiophen-3-yl)cyclobutyl]methyl]ethanamine
CID 81018114
N-methyl-1-[2-(5-methylthiophen-3-yl)cyclohexyl]methanamine
CID 81028667
N-[[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81025338
[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methanamine
CID 81010311
N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81031516
2-(5-methylthiophen-3-yl)cyclohexan-1-amine
CID 65104425
1-[2-(3-fluorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 81028965
N-[(2-pentan-3-yl-4-propan-2-ylcyclohexyl)methyl]propan-2-amine
CID 81030520

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine (CID 81030590) is N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine is Cc1cc(C2CC(C(C)C)CCC2CNC(C)C)cs1.
What is the InChIKey of N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
The InChIKey is WCQXGQPZVSSRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-12(2)15-6-7-16(10-19-13(3)4)18(9-15)17-8-14(5)20-11-17/h8,11-13,15-16,18-19H,6-7,9-10H2,1-5H3.
What are the key properties of N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine has a molecular weight of 293.52 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81030590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).