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

C16H35NS — CID 144865675

IUPACethane;N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC.CCN(C(C)C)C1CCC(CCSC)CC1
InChIInChI=1S/C14H29NS.C2H6/c1-5-15(12(2)3)14-8-6-13(7-9-14)10-11-16-4;1-2/h12-14H,5-11H2,1-4H3;1-2H3
InChIKeyHTJTYTIHQFMIEB-UHFFFAOYSA-N
MW273.53 g/mol
LogP5.05
Rot. Bonds6

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

ethane;N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine (PubChem CID 144865675) has the molecular formula C16H35NS and a molecular weight of 273.53 g/mol. Its IUPAC name is ethane;N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Nameethane;N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine
PubChem CID144865675
Molecular FormulaC16H35NS
Molecular Weight273.53 g/mol
Exact Mass273.25
IUPAC Nameethane;N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC.CCN(C(C)C)C1CCC(CCSC)CC1
InChIInChI=1S/C14H29NS.C2H6/c1-5-15(12(2)3)14-8-6-13(7-9-14)10-11-16-4;1-2/h12-14H,5-11H2,1-4H3;1-2H3
InChIKeyHTJTYTIHQFMIEB-UHFFFAOYSA-N
XLogP5.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.53
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of ethane;N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine (CID 144865675) is ethane;N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for ethane;N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for ethane;N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine is CC.CCN(C(C)C)C1CCC(CCSC)CC1.
What is the InChIKey of ethane;N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is HTJTYTIHQFMIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS.C2H6/c1-5-15(12(2)3)14-8-6-13(7-9-14)10-11-16-4;1-2/h12-14H,5-11H2,1-4H3;1-2H3.
What are the key properties of ethane;N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine?
ethane;N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 273.53 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 144865675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).