1-[(1E)-cycloocten-1-yl]-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine

C16H24N2O — CID 106656781

IUPAC1-[(1E)-cycloocten-1-yl]-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCNC(/C1=C/CCCCCC1)c1cccnc1OC
InChIInChI=1S/C16H24N2O/c1-17-15(13-9-6-4-3-5-7-10-13)14-11-8-12-18-16(14)19-2/h8-9,11-12,15,17H,3-7,10H2,1-2H3/b13-9+
InChIKeyKQYRSGZGYIBMTN-UKTHLTGXSA-N
MW260.38 g/mol
LogP3.63
Rot. Bonds4

About 1-[(1E)-cycloocten-1-yl]-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine

1-[(1E)-cycloocten-1-yl]-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine (PubChem CID 106656781) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[(1E)-cycloocten-1-yl]-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[(1E)-cycloocten-1-yl]-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
PubChem CID106656781
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[(1E)-cycloocten-1-yl]-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCNC(/C1=C/CCCCCC1)c1cccnc1OC
InChIInChI=1S/C16H24N2O/c1-17-15(13-9-6-4-3-5-7-10-13)14-11-8-12-18-16(14)19-2/h8-9,11-12,15,17H,3-7,10H2,1-2H3/b13-9+
InChIKeyKQYRSGZGYIBMTN-UKTHLTGXSA-N
XLogP3.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1E)-cycloocten-1-yl]-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine with MolForge

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Related Compounds

1-(cyclohepten-1-yl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine
CID 106657148
1-[(1E)-cycloocten-1-yl]-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 106656528
1-(2,3-dihydrofuran-5-yl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 102653191
1-(2-methoxy-3-pyridinyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094747
1-[(1E)-cycloocten-1-yl]-1-[2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 106656311
1-[(1E)-cycloocten-1-yl]-N-methyl-1-quinolin-6-ylmethanamine
CID 106652944
1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477313
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105174824
1-(4-bromo-2-methoxyphenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 115368980
1-(2-methoxy-3-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 105118973
1-(3,5-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105097099
(1R)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 55276659

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-cycloocten-1-yl]-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-[(1E)-cycloocten-1-yl]-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine (CID 106656781) is 1-[(1E)-cycloocten-1-yl]-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-[(1E)-cycloocten-1-yl]-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-[(1E)-cycloocten-1-yl]-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine is CNC(/C1=C/CCCCCC1)c1cccnc1OC.
What is the InChIKey of 1-[(1E)-cycloocten-1-yl]-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine?
The InChIKey is KQYRSGZGYIBMTN-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H24N2O/c1-17-15(13-9-6-4-3-5-7-10-13)14-11-8-12-18-16(14)19-2/h8-9,11-12,15,17H,3-7,10H2,1-2H3/b13-9+.
What are the key properties of 1-[(1E)-cycloocten-1-yl]-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine?
1-[(1E)-cycloocten-1-yl]-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine has a molecular weight of 260.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-cycloocten-1-yl]-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 106656781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).