1-[(1E)-cycloocten-1-yl]-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine

C16H24N2O — CID 106656528

IUPAC1-[(1E)-cycloocten-1-yl]-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
SMILESCNC(/C1=C/CCCCCC1)c1ccncc1OC
InChIInChI=1S/C16H24N2O/c1-17-16(13-8-6-4-3-5-7-9-13)14-10-11-18-12-15(14)19-2/h8,10-12,16-17H,3-7,9H2,1-2H3/b13-8+
InChIKeyFWAAJAHNKIQDQL-MDWZMJQESA-N
MW260.38 g/mol
LogP3.63
Rot. Bonds4

About 1-[(1E)-cycloocten-1-yl]-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine

1-[(1E)-cycloocten-1-yl]-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine (PubChem CID 106656528) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[(1E)-cycloocten-1-yl]-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[(1E)-cycloocten-1-yl]-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
PubChem CID106656528
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[(1E)-cycloocten-1-yl]-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
SMILESCNC(/C1=C/CCCCCC1)c1ccncc1OC
InChIInChI=1S/C16H24N2O/c1-17-16(13-8-6-4-3-5-7-9-13)14-10-11-18-12-15(14)19-2/h8,10-12,16-17H,3-7,9H2,1-2H3/b13-8+
InChIKeyFWAAJAHNKIQDQL-MDWZMJQESA-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'}

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 115368980
1-(cyclohepten-1-yl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine
CID 106657148
1-[(1E)-cycloocten-1-yl]-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 106656781
1-(4-chloro-2-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
CID 62077826
1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine
CID 82237298
1-[(1E)-cycloocten-1-yl]-1-[2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 106656311
1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 62079581
1-cycloheptyl-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065977
1-(4-ethylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065349
1-(2-bromo-5-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
CID 106657320
1-(3,5-dimethylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065247
N-[[(1E)-cycloocten-1-yl]-(3-ethyl-4-pyridinyl)methyl]propan-1-amine
CID 106654247

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-cycloocten-1-yl]-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-[(1E)-cycloocten-1-yl]-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine (CID 106656528) is 1-[(1E)-cycloocten-1-yl]-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-[(1E)-cycloocten-1-yl]-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-[(1E)-cycloocten-1-yl]-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine is CNC(/C1=C/CCCCCC1)c1ccncc1OC.
What is the InChIKey of 1-[(1E)-cycloocten-1-yl]-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine?
The InChIKey is FWAAJAHNKIQDQL-MDWZMJQESA-N. The full InChI is InChI=1S/C16H24N2O/c1-17-16(13-8-6-4-3-5-7-9-13)14-10-11-18-12-15(14)19-2/h8,10-12,16-17H,3-7,9H2,1-2H3/b13-8+.
What are the key properties of 1-[(1E)-cycloocten-1-yl]-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine?
1-[(1E)-cycloocten-1-yl]-1-(3-methoxy-4-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-(3-methoxy-4-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 106656528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).