ethane;N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine

C15H33NS — CID 144865671

IUPACethane;N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC.CSCCC1CCC(N(C)C(C)C)CC1
InChIInChI=1S/C13H27NS.C2H6/c1-11(2)14(3)13-7-5-12(6-8-13)9-10-15-4;1-2/h11-13H,5-10H2,1-4H3;1-2H3
InChIKeyULGYELIXUYKKPQ-UHFFFAOYSA-N
MW259.50 g/mol
LogP4.66
Rot. Bonds5

About ethane;N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine

ethane;N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine (PubChem CID 144865671) has the molecular formula C15H33NS and a molecular weight of 259.50 g/mol. Its IUPAC name is ethane;N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Nameethane;N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine
PubChem CID144865671
Molecular FormulaC15H33NS
Molecular Weight259.50 g/mol
Exact Mass259.23
IUPAC Nameethane;N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC.CSCCC1CCC(N(C)C(C)C)CC1
InChIInChI=1S/C13H27NS.C2H6/c1-11(2)14(3)13-7-5-12(6-8-13)9-10-15-4;1-2/h11-13H,5-10H2,1-4H3;1-2H3
InChIKeyULGYELIXUYKKPQ-UHFFFAOYSA-N
XLogP4.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.50
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of ethane;N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine (CID 144865671) is ethane;N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for ethane;N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for ethane;N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine is CC.CSCCC1CCC(N(C)C(C)C)CC1.
What is the InChIKey of ethane;N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is ULGYELIXUYKKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS.C2H6/c1-11(2)14(3)13-7-5-12(6-8-13)9-10-15-4;1-2/h11-13H,5-10H2,1-4H3;1-2H3.
What are the key properties of ethane;N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine?
ethane;N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 259.50 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 144865671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).