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

C16H27NS — CID 81032270

IUPACN-[[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine
SMILESCc1cc(C2CC(C)CCC2CNC(C)C)cs1
InChIInChI=1S/C16H27NS/c1-11(2)17-9-14-6-5-12(3)7-16(14)15-8-13(4)18-10-15/h8,10-12,14,16-17H,5-7,9H2,1-4H3
InChIKeyOJCBZNXFHGXVSI-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.57
Rot. Bonds4

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

N-[[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine (PubChem CID 81032270) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-[[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine
PubChem CID81032270
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-[[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine
SMILESCc1cc(C2CC(C)CCC2CNC(C)C)cs1
InChIInChI=1S/C16H27NS/c1-11(2)17-9-14-6-5-12(3)7-16(14)15-8-13(4)18-10-15/h8,10-12,14,16-17H,5-7,9H2,1-4H3
InChIKeyOJCBZNXFHGXVSI-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81030590
N-[[2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine
CID 81026774
[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-methyl-N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 81026188
N-methyl-1-[2-(5-methylthiophen-3-yl)cyclohexyl]methanamine
CID 81028667
N-[[2-(5-methylthiophen-3-yl)cyclobutyl]methyl]ethanamine
CID 81018114
N-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81032279
N-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]propan-2-amine
CID 81032355
N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81034007
N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81033640
N-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine
CID 81018163

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine (CID 81032270) is N-[[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine is Cc1cc(C2CC(C)CCC2CNC(C)C)cs1.
What is the InChIKey of N-[[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is OJCBZNXFHGXVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-11(2)17-9-14-6-5-12(3)7-16(14)15-8-13(4)18-10-15/h8,10-12,14,16-17H,5-7,9H2,1-4H3.
What are the key properties of N-[[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine?
N-[[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 265.47 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81032270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).