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

C18H28N2 — CID 106656300

IUPAC1-[(1E)-cycloocten-1-yl]-N-ethyl-3-pyridin-3-ylpropan-1-amine
SMILESCCNC(CCc1cccnc1)/C1=C/CCCCCC1
InChIInChI=1S/C18H28N2/c1-2-20-18(13-12-16-9-8-14-19-15-16)17-10-6-4-3-5-7-11-17/h8-10,14-15,18,20H,2-7,11-13H2,1H3/b17-10+
InChIKeyVTWLRCAQRNHJMC-LICLKQGHSA-N
MW272.44 g/mol
LogP4.27
Rot. Bonds6

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

1-[(1E)-cycloocten-1-yl]-N-ethyl-3-pyridin-3-ylpropan-1-amine (PubChem CID 106656300) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-[(1E)-cycloocten-1-yl]-N-ethyl-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-[(1E)-cycloocten-1-yl]-N-ethyl-3-pyridin-3-ylpropan-1-amine
PubChem CID106656300
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-[(1E)-cycloocten-1-yl]-N-ethyl-3-pyridin-3-ylpropan-1-amine
SMILESCCNC(CCc1cccnc1)/C1=C/CCCCCC1
InChIInChI=1S/C18H28N2/c1-2-20-18(13-12-16-9-8-14-19-15-16)17-10-6-4-3-5-7-11-17/h8-10,14-15,18,20H,2-7,11-13H2,1H3/b17-10+
InChIKeyVTWLRCAQRNHJMC-LICLKQGHSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1E)-cycloocten-1-yl]-N-ethyl-3-pyridin-3-ylpropan-1-amine with MolForge

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Related Compounds

1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-4-ylpropan-1-amine
CID 106657059
1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 106657119
N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
CID 105164345
N-ethyl-1-(4-propylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105144433
1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine
CID 106652787
N-ethyl-1-(3-ethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171233
N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine
CID 105100649
1-(cycloocten-1-yl)-N-ethylhexan-1-amine
CID 106656805
1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine
CID 62080150
1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105142109
1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 106647869
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105186126

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-cycloocten-1-yl]-N-ethyl-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of 1-[(1E)-cycloocten-1-yl]-N-ethyl-3-pyridin-3-ylpropan-1-amine (CID 106656300) is 1-[(1E)-cycloocten-1-yl]-N-ethyl-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 1-[(1E)-cycloocten-1-yl]-N-ethyl-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 1-[(1E)-cycloocten-1-yl]-N-ethyl-3-pyridin-3-ylpropan-1-amine is CCNC(CCc1cccnc1)/C1=C/CCCCCC1.
What is the InChIKey of 1-[(1E)-cycloocten-1-yl]-N-ethyl-3-pyridin-3-ylpropan-1-amine?
The InChIKey is VTWLRCAQRNHJMC-LICLKQGHSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-20-18(13-12-16-9-8-14-19-15-16)17-10-6-4-3-5-7-11-17/h8-10,14-15,18,20H,2-7,11-13H2,1H3/b17-10+.
What are the key properties of 1-[(1E)-cycloocten-1-yl]-N-ethyl-3-pyridin-3-ylpropan-1-amine?
1-[(1E)-cycloocten-1-yl]-N-ethyl-3-pyridin-3-ylpropan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 4.27, 6 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-ethyl-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 106656300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).