1-(4-ethylcyclohexyl)-N-methyl-2-propan-2-ylsulfanylethanamine

C14H29NS — CID 65132236

IUPAC1-(4-ethylcyclohexyl)-N-methyl-2-propan-2-ylsulfanylethanamine
SMILESCCC1CCC(C(CSC(C)C)NC)CC1
InChIInChI=1S/C14H29NS/c1-5-12-6-8-13(9-7-12)14(15-4)10-16-11(2)3/h11-15H,5-10H2,1-4H3
InChIKeyPMGOPSUPXFVENH-UHFFFAOYSA-N
MW243.46 g/mol
LogP3.93
Rot. Bonds6

About 1-(4-ethylcyclohexyl)-N-methyl-2-propan-2-ylsulfanylethanamine

1-(4-ethylcyclohexyl)-N-methyl-2-propan-2-ylsulfanylethanamine (PubChem CID 65132236) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-N-methyl-2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-N-methyl-2-propan-2-ylsulfanylethanamine
PubChem CID65132236
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC Name1-(4-ethylcyclohexyl)-N-methyl-2-propan-2-ylsulfanylethanamine
SMILESCCC1CCC(C(CSC(C)C)NC)CC1
InChIInChI=1S/C14H29NS/c1-5-12-6-8-13(9-7-12)14(15-4)10-16-11(2)3/h11-15H,5-10H2,1-4H3
InChIKeyPMGOPSUPXFVENH-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethylcyclohexyl)-N-methyl-2-propan-2-ylsulfanylethanamine 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 1-(4-ethylcyclohexyl)-N-methyl-2-propan-2-ylsulfanylethanamine?
The IUPAC name of 1-(4-ethylcyclohexyl)-N-methyl-2-propan-2-ylsulfanylethanamine (CID 65132236) is 1-(4-ethylcyclohexyl)-N-methyl-2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-N-methyl-2-propan-2-ylsulfanylethanamine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-N-methyl-2-propan-2-ylsulfanylethanamine is CCC1CCC(C(CSC(C)C)NC)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-N-methyl-2-propan-2-ylsulfanylethanamine?
The InChIKey is PMGOPSUPXFVENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-5-12-6-8-13(9-7-12)14(15-4)10-16-11(2)3/h11-15H,5-10H2,1-4H3.
What are the key properties of 1-(4-ethylcyclohexyl)-N-methyl-2-propan-2-ylsulfanylethanamine?
1-(4-ethylcyclohexyl)-N-methyl-2-propan-2-ylsulfanylethanamine has a molecular weight of 243.46 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-N-methyl-2-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 65132236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).