3-methyl-N-(3-methylsulfanylbutyl)cyclohexan-1-amine

C12H25NS — CID 115653141

IUPAC3-methyl-N-(3-methylsulfanylbutyl)cyclohexan-1-amine
SMILESCSC(C)CCNC1CCCC(C)C1
InChIInChI=1S/C12H25NS/c1-10-5-4-6-12(9-10)13-8-7-11(2)14-3/h10-13H,4-9H2,1-3H3
InChIKeyVAIMCRUGICWZTE-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.30
Rot. Bonds5

About 3-methyl-N-(3-methylsulfanylbutyl)cyclohexan-1-amine

3-methyl-N-(3-methylsulfanylbutyl)cyclohexan-1-amine (PubChem CID 115653141) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 3-methyl-N-(3-methylsulfanylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(3-methylsulfanylbutyl)cyclohexan-1-amine
PubChem CID115653141
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name3-methyl-N-(3-methylsulfanylbutyl)cyclohexan-1-amine
SMILESCSC(C)CCNC1CCCC(C)C1
InChIInChI=1S/C12H25NS/c1-10-5-4-6-12(9-10)13-8-7-11(2)14-3/h10-13H,4-9H2,1-3H3
InChIKeyVAIMCRUGICWZTE-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylsulfanylbutyl)cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-(3-methylsulfanylbutyl)cyclohexan-1-amine (CID 115653141) is 3-methyl-N-(3-methylsulfanylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-(3-methylsulfanylbutyl)cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-(3-methylsulfanylbutyl)cyclohexan-1-amine is CSC(C)CCNC1CCCC(C)C1.
What is the InChIKey of 3-methyl-N-(3-methylsulfanylbutyl)cyclohexan-1-amine?
The InChIKey is VAIMCRUGICWZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-10-5-4-6-12(9-10)13-8-7-11(2)14-3/h10-13H,4-9H2,1-3H3.
What are the key properties of 3-methyl-N-(3-methylsulfanylbutyl)cyclohexan-1-amine?
3-methyl-N-(3-methylsulfanylbutyl)cyclohexan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylsulfanylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 115653141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).