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

C14H29NS — CID 65139959

IUPAC1-cyclohexylsulfanyl-N,4-dimethylhexan-2-amine
SMILESCCC(C)CC(CSC1CCCCC1)NC
InChIInChI=1S/C14H29NS/c1-4-12(2)10-13(15-3)11-16-14-8-6-5-7-9-14/h12-15H,4-11H2,1-3H3
InChIKeyFKAIOBPMNLVSJB-UHFFFAOYSA-N
MW243.46 g/mol
LogP4.08
Rot. Bonds7

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

1-cyclohexylsulfanyl-N,4-dimethylhexan-2-amine (PubChem CID 65139959) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-N,4-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-N,4-dimethylhexan-2-amine
PubChem CID65139959
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC Name1-cyclohexylsulfanyl-N,4-dimethylhexan-2-amine
SMILESCCC(C)CC(CSC1CCCCC1)NC
InChIInChI=1S/C14H29NS/c1-4-12(2)10-13(15-3)11-16-14-8-6-5-7-9-14/h12-15H,4-11H2,1-3H3
InChIKeyFKAIOBPMNLVSJB-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-N,4-dimethylhexan-2-amine?
The IUPAC name of 1-cyclohexylsulfanyl-N,4-dimethylhexan-2-amine (CID 65139959) is 1-cyclohexylsulfanyl-N,4-dimethylhexan-2-amine.
What is the SMILES notation for 1-cyclohexylsulfanyl-N,4-dimethylhexan-2-amine?
The canonical SMILES for 1-cyclohexylsulfanyl-N,4-dimethylhexan-2-amine is CCC(C)CC(CSC1CCCCC1)NC.
What is the InChIKey of 1-cyclohexylsulfanyl-N,4-dimethylhexan-2-amine?
The InChIKey is FKAIOBPMNLVSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-4-12(2)10-13(15-3)11-16-14-8-6-5-7-9-14/h12-15H,4-11H2,1-3H3.
What are the key properties of 1-cyclohexylsulfanyl-N,4-dimethylhexan-2-amine?
1-cyclohexylsulfanyl-N,4-dimethylhexan-2-amine has a molecular weight of 243.46 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-N,4-dimethylhexan-2-amine is sourced from PubChem (CID 65139959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).