N,2,2-trimethyl-6-(4-methylphenyl)sulfanylcyclohexan-1-amine

C16H25NS — CID 79847351

IUPACN,2,2-trimethyl-6-(4-methylphenyl)sulfanylcyclohexan-1-amine
SMILESCNC1C(Sc2ccc(C)cc2)CCCC1(C)C
InChIInChI=1S/C16H25NS/c1-12-7-9-13(10-8-12)18-14-6-5-11-16(2,3)15(14)17-4/h7-10,14-15,17H,5-6,11H2,1-4H3
InChIKeyHHQXAUFRSGBSCF-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.25
Rot. Bonds3

About N,2,2-trimethyl-6-(4-methylphenyl)sulfanylcyclohexan-1-amine

N,2,2-trimethyl-6-(4-methylphenyl)sulfanylcyclohexan-1-amine (PubChem CID 79847351) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is N,2,2-trimethyl-6-(4-methylphenyl)sulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-6-(4-methylphenyl)sulfanylcyclohexan-1-amine
PubChem CID79847351
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC NameN,2,2-trimethyl-6-(4-methylphenyl)sulfanylcyclohexan-1-amine
SMILESCNC1C(Sc2ccc(C)cc2)CCCC1(C)C
InChIInChI=1S/C16H25NS/c1-12-7-9-13(10-8-12)18-14-6-5-11-16(2,3)15(14)17-4/h7-10,14-15,17H,5-6,11H2,1-4H3
InChIKeyHHQXAUFRSGBSCF-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-6-(4-methylphenyl)sulfanylcyclohexan-1-amine?
The IUPAC name of N,2,2-trimethyl-6-(4-methylphenyl)sulfanylcyclohexan-1-amine (CID 79847351) is N,2,2-trimethyl-6-(4-methylphenyl)sulfanylcyclohexan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-6-(4-methylphenyl)sulfanylcyclohexan-1-amine?
The canonical SMILES for N,2,2-trimethyl-6-(4-methylphenyl)sulfanylcyclohexan-1-amine is CNC1C(Sc2ccc(C)cc2)CCCC1(C)C.
What is the InChIKey of N,2,2-trimethyl-6-(4-methylphenyl)sulfanylcyclohexan-1-amine?
The InChIKey is HHQXAUFRSGBSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-12-7-9-13(10-8-12)18-14-6-5-11-16(2,3)15(14)17-4/h7-10,14-15,17H,5-6,11H2,1-4H3.
What are the key properties of N,2,2-trimethyl-6-(4-methylphenyl)sulfanylcyclohexan-1-amine?
N,2,2-trimethyl-6-(4-methylphenyl)sulfanylcyclohexan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-6-(4-methylphenyl)sulfanylcyclohexan-1-amine is sourced from PubChem (CID 79847351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).