1-cyclohexyl-4-cyclohexylsulfanylbutan-2-amine

C16H31NS — CID 54186295

IUPAC1-cyclohexyl-4-cyclohexylsulfanylbutan-2-amine
SMILESNC(CCSC1CCCCC1)CC1CCCCC1
InChIInChI=1S/C16H31NS/c17-15(13-14-7-3-1-4-8-14)11-12-18-16-9-5-2-6-10-16/h14-16H,1-13,17H2
InChIKeyPFINXOJMZTUXJS-UHFFFAOYSA-N
MW269.50 g/mol
LogP4.74
Rot. Bonds6

About 1-cyclohexyl-4-cyclohexylsulfanylbutan-2-amine

1-cyclohexyl-4-cyclohexylsulfanylbutan-2-amine (PubChem CID 54186295) has the molecular formula C16H31NS and a molecular weight of 269.50 g/mol. Its IUPAC name is 1-cyclohexyl-4-cyclohexylsulfanylbutan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-4-cyclohexylsulfanylbutan-2-amine
PubChem CID54186295
Molecular FormulaC16H31NS
Molecular Weight269.50 g/mol
Exact Mass269.22
IUPAC Name1-cyclohexyl-4-cyclohexylsulfanylbutan-2-amine
SMILESNC(CCSC1CCCCC1)CC1CCCCC1
InChIInChI=1S/C16H31NS/c17-15(13-14-7-3-1-4-8-14)11-12-18-16-9-5-2-6-10-16/h14-16H,1-13,17H2
InChIKeyPFINXOJMZTUXJS-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-cyclohexylsulfanylbutan-2-amine?
The IUPAC name of 1-cyclohexyl-4-cyclohexylsulfanylbutan-2-amine (CID 54186295) is 1-cyclohexyl-4-cyclohexylsulfanylbutan-2-amine.
What is the SMILES notation for 1-cyclohexyl-4-cyclohexylsulfanylbutan-2-amine?
The canonical SMILES for 1-cyclohexyl-4-cyclohexylsulfanylbutan-2-amine is NC(CCSC1CCCCC1)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-cyclohexylsulfanylbutan-2-amine?
The InChIKey is PFINXOJMZTUXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NS/c17-15(13-14-7-3-1-4-8-14)11-12-18-16-9-5-2-6-10-16/h14-16H,1-13,17H2.
What are the key properties of 1-cyclohexyl-4-cyclohexylsulfanylbutan-2-amine?
1-cyclohexyl-4-cyclohexylsulfanylbutan-2-amine has a molecular weight of 269.50 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-cyclohexylsulfanylbutan-2-amine is sourced from PubChem (CID 54186295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).