4,4-dimethyl-2-(3-methylcyclohexyl)sulfanylcyclohexan-1-amine

C15H29NS — CID 64632027

IUPAC4,4-dimethyl-2-(3-methylcyclohexyl)sulfanylcyclohexan-1-amine
SMILESCC1CCCC(SC2CC(C)(C)CCC2N)C1
InChIInChI=1S/C15H29NS/c1-11-5-4-6-12(9-11)17-14-10-15(2,3)8-7-13(14)16/h11-14H,4-10,16H2,1-3H3
InChIKeyZHOLDHCKSUSGNL-UHFFFAOYSA-N
MW255.47 g/mol
LogP4.20
Rot. Bonds2

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

4,4-dimethyl-2-(3-methylcyclohexyl)sulfanylcyclohexan-1-amine (PubChem CID 64632027) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is 4,4-dimethyl-2-(3-methylcyclohexyl)sulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-(3-methylcyclohexyl)sulfanylcyclohexan-1-amine
PubChem CID64632027
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC Name4,4-dimethyl-2-(3-methylcyclohexyl)sulfanylcyclohexan-1-amine
SMILESCC1CCCC(SC2CC(C)(C)CCC2N)C1
InChIInChI=1S/C15H29NS/c1-11-5-4-6-12(9-11)17-14-10-15(2,3)8-7-13(14)16/h11-14H,4-10,16H2,1-3H3
InChIKeyZHOLDHCKSUSGNL-UHFFFAOYSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(3-methylcyclohexyl)sulfanylcyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-2-(3-methylcyclohexyl)sulfanylcyclohexan-1-amine (CID 64632027) is 4,4-dimethyl-2-(3-methylcyclohexyl)sulfanylcyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-2-(3-methylcyclohexyl)sulfanylcyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-2-(3-methylcyclohexyl)sulfanylcyclohexan-1-amine is CC1CCCC(SC2CC(C)(C)CCC2N)C1.
What is the InChIKey of 4,4-dimethyl-2-(3-methylcyclohexyl)sulfanylcyclohexan-1-amine?
The InChIKey is ZHOLDHCKSUSGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS/c1-11-5-4-6-12(9-11)17-14-10-15(2,3)8-7-13(14)16/h11-14H,4-10,16H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-(3-methylcyclohexyl)sulfanylcyclohexan-1-amine?
4,4-dimethyl-2-(3-methylcyclohexyl)sulfanylcyclohexan-1-amine has a molecular weight of 255.47 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(3-methylcyclohexyl)sulfanylcyclohexan-1-amine is sourced from PubChem (CID 64632027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).