4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine

C15H31NS — CID 64625882

IUPAC4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)CC)CC1SC
InChIInChI=1S/C15H31NS/c1-6-10-16-13-9-8-12(11-14(13)17-5)15(3,4)7-2/h12-14,16H,6-11H2,1-5H3
InChIKeyKQXSTYXQZNNXQB-UHFFFAOYSA-N
MW257.49 g/mol
LogP4.32
Rot. Bonds6

About 4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine

4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine (PubChem CID 64625882) has the molecular formula C15H31NS and a molecular weight of 257.49 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine
PubChem CID64625882
Molecular FormulaC15H31NS
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC Name4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)CC)CC1SC
InChIInChI=1S/C15H31NS/c1-6-10-16-13-9-8-12(11-14(13)17-5)15(3,4)7-2/h12-14,16H,6-11H2,1-5H3
InChIKeyKQXSTYXQZNNXQB-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine (CID 64625882) is 4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C(C)(C)CC)CC1SC.
What is the InChIKey of 4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine?
The InChIKey is KQXSTYXQZNNXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NS/c1-6-10-16-13-9-8-12(11-14(13)17-5)15(3,4)7-2/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine?
4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine has a molecular weight of 257.49 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64625882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).