1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-4-ylpropan-1-amine

C17H26N2 — CID 106657059

IUPAC1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-4-ylpropan-1-amine
SMILESCCNC(CCc1ccncc1)C1=CCCCCC1
InChIInChI=1S/C17H26N2/c1-2-19-17(16-7-5-3-4-6-8-16)10-9-15-11-13-18-14-12-15/h7,11-14,17,19H,2-6,8-10H2,1H3
InChIKeyFCLINHIEHWRTOH-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.88
Rot. Bonds6

About 1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-4-ylpropan-1-amine

1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-4-ylpropan-1-amine (PubChem CID 106657059) 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-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-4-ylpropan-1-amine
PubChem CID106657059
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-4-ylpropan-1-amine
SMILESCCNC(CCc1ccncc1)C1=CCCCCC1
InChIInChI=1S/C17H26N2/c1-2-19-17(16-7-5-3-4-6-8-16)10-9-15-11-13-18-14-12-15/h7,11-14,17,19H,2-6,8-10H2,1H3
InChIKeyFCLINHIEHWRTOH-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'}

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Related Compounds

1-[(1E)-cycloocten-1-yl]-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 106656300
1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine
CID 106652787
1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 106657119
1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 106652784
1-(cycloocten-1-yl)-N-ethylhexan-1-amine
CID 106656805
1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine
CID 62080150
1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine
CID 106652652
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-(cyclohepten-1-yl)-3-(4-methylphenyl)propyl]hydrazine
CID 106650193
1-(cyclohepten-1-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 106657196
1-(cyclopenten-1-yl)-N-ethylhexan-1-amine
CID 62080366

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-4-ylpropan-1-amine (CID 106657059) is 1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-4-ylpropan-1-amine is CCNC(CCc1ccncc1)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-4-ylpropan-1-amine?
The InChIKey is FCLINHIEHWRTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-19-17(16-7-5-3-4-6-8-16)10-9-15-11-13-18-14-12-15/h7,11-14,17,19H,2-6,8-10H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-4-ylpropan-1-amine?
1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-4-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-4-ylpropan-1-amine is sourced from PubChem (CID 106657059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).