1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine

C15H22N2O — CID 106653948

IUPAC1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)nc1)C1=CCCCC1
InChIInChI=1S/C15H22N2O/c1-16-14(13-6-4-3-5-7-13)10-12-8-9-15(18-2)17-11-12/h6,8-9,11,14,16H,3-5,7,10H2,1-2H3
InChIKeyVVFMDQXXYUGPIM-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.72
Rot. Bonds5

About 1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine

1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine (PubChem CID 106653948) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine
PubChem CID106653948
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)nc1)C1=CCCCC1
InChIInChI=1S/C15H22N2O/c1-16-14(13-6-4-3-5-7-13)10-12-8-9-15(18-2)17-11-12/h6,8-9,11,14,16H,3-5,7,10H2,1-2H3
InChIKeyVVFMDQXXYUGPIM-UHFFFAOYSA-N
XLogP2.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)ethyl]hydrazine
CID 106649305
1-(3,4-dihydro-2H-pyran-6-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine
CID 102647849
1-[(1E)-cycloocten-1-yl]-2-(4-methoxyphenyl)-N-methylethanamine
CID 106652629
1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 106652784
1-(cyclohexen-1-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 62079036
[1-(3,4-dihydro-2H-pyran-6-yl)-2-(6-methoxy-3-pyridinyl)ethyl]hydrazine
CID 102650080
cyclohexen-1-yl-(6-methoxy-3-pyridinyl)methanol
CID 106651682
1-[(1E)-cycloocten-1-yl]-N-methyl-2-(3-methylphenyl)ethanamine
CID 106652697
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine
CID 106762794
1-(cyclohexen-1-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 62078161
1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 62078209
[1-(6-methoxy-3-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105250512

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine (CID 106653948) is 1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine is CNC(Cc1ccc(OC)nc1)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine?
The InChIKey is VVFMDQXXYUGPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16-14(13-6-4-3-5-7-13)10-12-8-9-15(18-2)17-11-12/h6,8-9,11,14,16H,3-5,7,10H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine?
1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine has a molecular weight of 246.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 106653948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).