2-cyclohexyl-1-(cycloocten-1-yl)-2-methoxy-N-methylethanamine

C18H33NO — CID 106654701

IUPAC2-cyclohexyl-1-(cycloocten-1-yl)-2-methoxy-N-methylethanamine
SMILESCNC(C1=CCCCCCC1)C(OC)C1CCCCC1
InChIInChI=1S/C18H33NO/c1-19-17(15-11-7-4-3-5-8-12-15)18(20-2)16-13-9-6-10-14-16/h11,16-19H,3-10,12-14H2,1-2H3
InChIKeyVTTLHMLUYCDLSH-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.45
Rot. Bonds5

About 2-cyclohexyl-1-(cycloocten-1-yl)-2-methoxy-N-methylethanamine

2-cyclohexyl-1-(cycloocten-1-yl)-2-methoxy-N-methylethanamine (PubChem CID 106654701) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-cyclohexyl-1-(cycloocten-1-yl)-2-methoxy-N-methylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(cycloocten-1-yl)-2-methoxy-N-methylethanamine
PubChem CID106654701
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name2-cyclohexyl-1-(cycloocten-1-yl)-2-methoxy-N-methylethanamine
SMILESCNC(C1=CCCCCCC1)C(OC)C1CCCCC1
InChIInChI=1S/C18H33NO/c1-19-17(15-11-7-4-3-5-8-12-15)18(20-2)16-13-9-6-10-14-16/h11,16-19H,3-10,12-14H2,1-2H3
InChIKeyVTTLHMLUYCDLSH-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-1-(cycloocten-1-yl)-2-methoxy-N-methylethanamine 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-cyclohexyl-1-(cycloocten-1-yl)-2-methoxy-N-methylethanamine?
The IUPAC name of 2-cyclohexyl-1-(cycloocten-1-yl)-2-methoxy-N-methylethanamine (CID 106654701) is 2-cyclohexyl-1-(cycloocten-1-yl)-2-methoxy-N-methylethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(cycloocten-1-yl)-2-methoxy-N-methylethanamine?
The canonical SMILES for 2-cyclohexyl-1-(cycloocten-1-yl)-2-methoxy-N-methylethanamine is CNC(C1=CCCCCCC1)C(OC)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(cycloocten-1-yl)-2-methoxy-N-methylethanamine?
The InChIKey is VTTLHMLUYCDLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-19-17(15-11-7-4-3-5-8-12-15)18(20-2)16-13-9-6-10-14-16/h11,16-19H,3-10,12-14H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-(cycloocten-1-yl)-2-methoxy-N-methylethanamine?
2-cyclohexyl-1-(cycloocten-1-yl)-2-methoxy-N-methylethanamine has a molecular weight of 279.47 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(cycloocten-1-yl)-2-methoxy-N-methylethanamine is sourced from PubChem (CID 106654701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).