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

C17H35NOS — CID 64613470

IUPAC2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)CC)CC1SCCOC
InChIInChI=1S/C17H35NOS/c1-6-10-18-15-9-8-14(17(3,4)7-2)13-16(15)20-12-11-19-5/h14-16,18H,6-13H2,1-5H3
InChIKeyRVKZUNVWUYTQGL-UHFFFAOYSA-N
MW301.54 g/mol
LogP4.34
Rot. Bonds9

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

2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine (PubChem CID 64613470) has the molecular formula C17H35NOS and a molecular weight of 301.54 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine
PubChem CID64613470
Molecular FormulaC17H35NOS
Molecular Weight301.54 g/mol
Exact Mass301.24
IUPAC Name2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)CC)CC1SCCOC
InChIInChI=1S/C17H35NOS/c1-6-10-18-15-9-8-14(17(3,4)7-2)13-16(15)20-12-11-19-5/h14-16,18H,6-13H2,1-5H3
InChIKeyRVKZUNVWUYTQGL-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.54
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-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 2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine (CID 64613470) is 2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine is CCCNC1CCC(C(C)(C)CC)CC1SCCOC.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine?
The InChIKey is RVKZUNVWUYTQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NOS/c1-6-10-18-15-9-8-14(17(3,4)7-2)13-16(15)20-12-11-19-5/h14-16,18H,6-13H2,1-5H3.
What are the key properties of 2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine?
2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine has a molecular weight of 301.54 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64613470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).