3,5-dimethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine

C15H23NS — CID 64736364

IUPAC3,5-dimethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine
SMILESCc1ccc(SC2C(C)CC(C)CC2N)cc1
InChIInChI=1S/C15H23NS/c1-10-4-6-13(7-5-10)17-15-12(3)8-11(2)9-14(15)16/h4-7,11-12,14-15H,8-9,16H2,1-3H3
InChIKeyHHGBMMBHHDYYID-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.85
Rot. Bonds2

About 3,5-dimethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine

3,5-dimethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine (PubChem CID 64736364) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 3,5-dimethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine
PubChem CID64736364
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name3,5-dimethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine
SMILESCc1ccc(SC2C(C)CC(C)CC2N)cc1
InChIInChI=1S/C15H23NS/c1-10-4-6-13(7-5-10)17-15-12(3)8-11(2)9-14(15)16/h4-7,11-12,14-15H,8-9,16H2,1-3H3
InChIKeyHHGBMMBHHDYYID-UHFFFAOYSA-N
XLogP3.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine (CID 64736364) is 3,5-dimethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine is Cc1ccc(SC2C(C)CC(C)CC2N)cc1.
What is the InChIKey of 3,5-dimethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine?
The InChIKey is HHGBMMBHHDYYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-10-4-6-13(7-5-10)17-15-12(3)8-11(2)9-14(15)16/h4-7,11-12,14-15H,8-9,16H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine?
3,5-dimethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine is sourced from PubChem (CID 64736364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).