1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine

C17H26N2 — CID 106657119

IUPAC1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine
SMILESCCNC(CCc1ccccn1)C1=CCCCCC1
InChIInChI=1S/C17H26N2/c1-2-18-17(15-9-5-3-4-6-10-15)13-12-16-11-7-8-14-19-16/h7-9,11,14,17-18H,2-6,10,12-13H2,1H3
InChIKeyJWCXZMZIDFPNHZ-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.88
Rot. Bonds6

About 1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine

1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine (PubChem CID 106657119) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine
PubChem CID106657119
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine
SMILESCCNC(CCc1ccccn1)C1=CCCCCC1
InChIInChI=1S/C17H26N2/c1-2-18-17(15-9-5-3-4-6-10-15)13-12-16-11-7-8-14-19-16/h7-9,11,14,17-18H,2-6,10,12-13H2,1H3
InChIKeyJWCXZMZIDFPNHZ-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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'}

Analyze 1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1E)-cycloocten-1-yl]-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 106656225
1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-4-ylpropan-1-amine
CID 106657059
1-(cycloocten-1-yl)-N-ethylhexan-1-amine
CID 106656805
1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine
CID 106652652
1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine
CID 62080150
1-(cyclohepten-1-yl)-N-ethyl-2-phenylsulfanylethanamine
CID 106653192
1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657027
1-(cyclohexen-1-yl)-N-ethyloctan-1-amine
CID 63506129
1-(cyclohepten-1-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 106657201
1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine
CID 106652787
1-cyclopentyl-N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 105081102
1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 62079589

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine (CID 106657119) is 1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine is CCNC(CCc1ccccn1)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine?
The InChIKey is JWCXZMZIDFPNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-18-17(15-9-5-3-4-6-10-15)13-12-16-11-7-8-14-19-16/h7-9,11,14,17-18H,2-6,10,12-13H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine?
1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 106657119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).