[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methanamine

C13H21NS — CID 81010311

IUPAC[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methanamine
SMILESCc1cc(C2CC(C)CCC2CN)cs1
InChIInChI=1S/C13H21NS/c1-9-3-4-11(7-14)13(5-9)12-6-10(2)15-8-12/h6,8-9,11,13H,3-5,7,14H2,1-2H3
InChIKeyLXZLBLBKBGHERX-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.54
Rot. Bonds2

About [4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methanamine

[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methanamine (PubChem CID 81010311) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is [4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methanamine
PubChem CID81010311
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methanamine
SMILESCc1cc(C2CC(C)CCC2CN)cs1
InChIInChI=1S/C13H21NS/c1-9-3-4-11(7-14)13(5-9)12-6-10(2)15-8-12/h6,8-9,11,13H,3-5,7,14H2,1-2H3
InChIKeyLXZLBLBKBGHERX-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methanamine?
The IUPAC name of [4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methanamine (CID 81010311) is [4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methanamine is Cc1cc(C2CC(C)CCC2CN)cs1.
What is the InChIKey of [4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methanamine?
The InChIKey is LXZLBLBKBGHERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-9-3-4-11(7-14)13(5-9)12-6-10(2)15-8-12/h6,8-9,11,13H,3-5,7,14H2,1-2H3.
What are the key properties of [4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methanamine?
[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methanamine has a molecular weight of 223.38 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methanamine is sourced from PubChem (CID 81010311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).