2-(4-ethylcyclohexyl)-7-methoxy-3-methyl-3,4-dihydroazocine

C17H27NO — CID 123759250

IUPAC2-(4-ethylcyclohexyl)-7-methoxy-3-methyl-3,4-dihydroazocine
SMILESCCC1CCC(/C2=N/C=C(OC)C=CCC2C)CC1
InChIInChI=1S/C17H27NO/c1-4-14-8-10-15(11-9-14)17-13(2)6-5-7-16(19-3)12-18-17/h5,7,12-15H,4,6,8-11H2,1-3H3/b7-5?,16-12?,18-17+
InChIKeyMUEUBBPXDVEIOY-YRHOQOEESA-N
MW261.41 g/mol
LogP4.73
Rot. Bonds3

About 2-(4-ethylcyclohexyl)-7-methoxy-3-methyl-3,4-dihydroazocine

2-(4-ethylcyclohexyl)-7-methoxy-3-methyl-3,4-dihydroazocine (PubChem CID 123759250) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)-7-methoxy-3-methyl-3,4-dihydroazocine.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)-7-methoxy-3-methyl-3,4-dihydroazocine
PubChem CID123759250
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(4-ethylcyclohexyl)-7-methoxy-3-methyl-3,4-dihydroazocine
SMILESCCC1CCC(/C2=N/C=C(OC)C=CCC2C)CC1
InChIInChI=1S/C17H27NO/c1-4-14-8-10-15(11-9-14)17-13(2)6-5-7-16(19-3)12-18-17/h5,7,12-15H,4,6,8-11H2,1-3H3/b7-5?,16-12?,18-17+
InChIKeyMUEUBBPXDVEIOY-YRHOQOEESA-N
XLogP4.73
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-ethylcyclohexyl)-7-methoxy-3-methyl-3,4-dihydroazocine 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-(4-ethylcyclohexyl)-7-methoxy-3-methyl-3,4-dihydroazocine?
The IUPAC name of 2-(4-ethylcyclohexyl)-7-methoxy-3-methyl-3,4-dihydroazocine (CID 123759250) is 2-(4-ethylcyclohexyl)-7-methoxy-3-methyl-3,4-dihydroazocine.
What is the SMILES notation for 2-(4-ethylcyclohexyl)-7-methoxy-3-methyl-3,4-dihydroazocine?
The canonical SMILES for 2-(4-ethylcyclohexyl)-7-methoxy-3-methyl-3,4-dihydroazocine is CCC1CCC(/C2=N/C=C(OC)C=CCC2C)CC1.
What is the InChIKey of 2-(4-ethylcyclohexyl)-7-methoxy-3-methyl-3,4-dihydroazocine?
The InChIKey is MUEUBBPXDVEIOY-YRHOQOEESA-N. The full InChI is InChI=1S/C17H27NO/c1-4-14-8-10-15(11-9-14)17-13(2)6-5-7-16(19-3)12-18-17/h5,7,12-15H,4,6,8-11H2,1-3H3/b7-5?,16-12?,18-17+.
What are the key properties of 2-(4-ethylcyclohexyl)-7-methoxy-3-methyl-3,4-dihydroazocine?
2-(4-ethylcyclohexyl)-7-methoxy-3-methyl-3,4-dihydroazocine has a molecular weight of 261.41 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)-7-methoxy-3-methyl-3,4-dihydroazocine is sourced from PubChem (CID 123759250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).