[4-methyl-2-(2-methylpropylsulfanyl)cyclohexyl]methanamine

C12H25NS — CID 43529826

IUPAC[4-methyl-2-(2-methylpropylsulfanyl)cyclohexyl]methanamine
SMILESCC(C)CSC1CC(C)CCC1CN
InChIInChI=1S/C12H25NS/c1-9(2)8-14-12-6-10(3)4-5-11(12)7-13/h9-12H,4-8,13H2,1-3H3
InChIKeyHBZPVWAGAOPXNI-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.14
Rot. Bonds4

About [4-methyl-2-(2-methylpropylsulfanyl)cyclohexyl]methanamine

[4-methyl-2-(2-methylpropylsulfanyl)cyclohexyl]methanamine (PubChem CID 43529826) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is [4-methyl-2-(2-methylpropylsulfanyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(2-methylpropylsulfanyl)cyclohexyl]methanamine
PubChem CID43529826
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name[4-methyl-2-(2-methylpropylsulfanyl)cyclohexyl]methanamine
SMILESCC(C)CSC1CC(C)CCC1CN
InChIInChI=1S/C12H25NS/c1-9(2)8-14-12-6-10(3)4-5-11(12)7-13/h9-12H,4-8,13H2,1-3H3
InChIKeyHBZPVWAGAOPXNI-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(2-methylpropylsulfanyl)cyclohexyl]methanamine?
The IUPAC name of [4-methyl-2-(2-methylpropylsulfanyl)cyclohexyl]methanamine (CID 43529826) is [4-methyl-2-(2-methylpropylsulfanyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-2-(2-methylpropylsulfanyl)cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-2-(2-methylpropylsulfanyl)cyclohexyl]methanamine is CC(C)CSC1CC(C)CCC1CN.
What is the InChIKey of [4-methyl-2-(2-methylpropylsulfanyl)cyclohexyl]methanamine?
The InChIKey is HBZPVWAGAOPXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-9(2)8-14-12-6-10(3)4-5-11(12)7-13/h9-12H,4-8,13H2,1-3H3.
What are the key properties of [4-methyl-2-(2-methylpropylsulfanyl)cyclohexyl]methanamine?
[4-methyl-2-(2-methylpropylsulfanyl)cyclohexyl]methanamine has a molecular weight of 215.41 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2-methylpropylsulfanyl)cyclohexyl]methanamine is sourced from PubChem (CID 43529826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).