1-[(1E)-cycloocten-1-yl]-N-methyl-3-pyridin-2-ylpropan-1-amine

C17H26N2 — CID 106656225

IUPAC1-[(1E)-cycloocten-1-yl]-N-methyl-3-pyridin-2-ylpropan-1-amine
SMILESCNC(CCc1ccccn1)/C1=C/CCCCCC1
InChIInChI=1S/C17H26N2/c1-18-17(13-12-16-11-7-8-14-19-16)15-9-5-3-2-4-6-10-15/h7-9,11,14,17-18H,2-6,10,12-13H2,1H3/b15-9+
InChIKeyANBUVABZPYFRQH-OQLLNIDSSA-N
MW258.41 g/mol
LogP3.88
Rot. Bonds5

About 1-[(1E)-cycloocten-1-yl]-N-methyl-3-pyridin-2-ylpropan-1-amine

1-[(1E)-cycloocten-1-yl]-N-methyl-3-pyridin-2-ylpropan-1-amine (PubChem CID 106656225) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[(1E)-cycloocten-1-yl]-N-methyl-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-[(1E)-cycloocten-1-yl]-N-methyl-3-pyridin-2-ylpropan-1-amine
PubChem CID106656225
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[(1E)-cycloocten-1-yl]-N-methyl-3-pyridin-2-ylpropan-1-amine
SMILESCNC(CCc1ccccn1)/C1=C/CCCCCC1
InChIInChI=1S/C17H26N2/c1-18-17(13-12-16-11-7-8-14-19-16)15-9-5-3-2-4-6-10-15/h7-9,11,14,17-18H,2-6,10,12-13H2,1H3/b15-9+
InChIKeyANBUVABZPYFRQH-OQLLNIDSSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 106657119
1-[(1E)-cycloocten-1-yl]-N-methyl-2-phenylsulfanylethanamine
CID 106653191
N-methyl-1-(2-methylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105094755
1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 106652784
1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105120431
N-methyl-1-(5-methylthiophen-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 105155581
1-(cyclohepten-1-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 106657055
1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105140831
1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 62078209
1-(cyclohexen-1-yl)-2-methoxy-N-methylethanamine
CID 106652673
1-(3-bromo-2-fluorophenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 106647594
1-cyclopentyl-N-methyl-5-pyridin-2-ylpentan-3-amine
CID 114193168

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-cycloocten-1-yl]-N-methyl-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-[(1E)-cycloocten-1-yl]-N-methyl-3-pyridin-2-ylpropan-1-amine (CID 106656225) is 1-[(1E)-cycloocten-1-yl]-N-methyl-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-[(1E)-cycloocten-1-yl]-N-methyl-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-[(1E)-cycloocten-1-yl]-N-methyl-3-pyridin-2-ylpropan-1-amine is CNC(CCc1ccccn1)/C1=C/CCCCCC1.
What is the InChIKey of 1-[(1E)-cycloocten-1-yl]-N-methyl-3-pyridin-2-ylpropan-1-amine?
The InChIKey is ANBUVABZPYFRQH-OQLLNIDSSA-N. The full InChI is InChI=1S/C17H26N2/c1-18-17(13-12-16-11-7-8-14-19-16)15-9-5-3-2-4-6-10-15/h7-9,11,14,17-18H,2-6,10,12-13H2,1H3/b15-9+.
What are the key properties of 1-[(1E)-cycloocten-1-yl]-N-methyl-3-pyridin-2-ylpropan-1-amine?
1-[(1E)-cycloocten-1-yl]-N-methyl-3-pyridin-2-ylpropan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-cycloocten-1-yl]-N-methyl-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 106656225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).