2-cyclohexylsulfanyl-N,4,4-trimethylcyclohexan-1-amine

C15H29NS — CID 64634815

IUPAC2-cyclohexylsulfanyl-N,4,4-trimethylcyclohexan-1-amine
SMILESCNC1CCC(C)(C)CC1SC1CCCCC1
InChIInChI=1S/C15H29NS/c1-15(2)10-9-13(16-3)14(11-15)17-12-7-5-4-6-8-12/h12-14,16H,4-11H2,1-3H3
InChIKeyVMQCMJMCRMCQIY-UHFFFAOYSA-N
MW255.47 g/mol
LogP4.22
Rot. Bonds3

About 2-cyclohexylsulfanyl-N,4,4-trimethylcyclohexan-1-amine

2-cyclohexylsulfanyl-N,4,4-trimethylcyclohexan-1-amine (PubChem CID 64634815) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-N,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-N,4,4-trimethylcyclohexan-1-amine
PubChem CID64634815
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC Name2-cyclohexylsulfanyl-N,4,4-trimethylcyclohexan-1-amine
SMILESCNC1CCC(C)(C)CC1SC1CCCCC1
InChIInChI=1S/C15H29NS/c1-15(2)10-9-13(16-3)14(11-15)17-12-7-5-4-6-8-12/h12-14,16H,4-11H2,1-3H3
InChIKeyVMQCMJMCRMCQIY-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-N,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of 2-cyclohexylsulfanyl-N,4,4-trimethylcyclohexan-1-amine (CID 64634815) is 2-cyclohexylsulfanyl-N,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexylsulfanyl-N,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-cyclohexylsulfanyl-N,4,4-trimethylcyclohexan-1-amine is CNC1CCC(C)(C)CC1SC1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfanyl-N,4,4-trimethylcyclohexan-1-amine?
The InChIKey is VMQCMJMCRMCQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS/c1-15(2)10-9-13(16-3)14(11-15)17-12-7-5-4-6-8-12/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 2-cyclohexylsulfanyl-N,4,4-trimethylcyclohexan-1-amine?
2-cyclohexylsulfanyl-N,4,4-trimethylcyclohexan-1-amine has a molecular weight of 255.47 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-N,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64634815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).