2-(cyclohexen-1-yl)-1-(5-propoxy-3-pyridinyl)ethanamine

C16H24N2O — CID 116661287

IUPAC2-(cyclohexen-1-yl)-1-(5-propoxy-3-pyridinyl)ethanamine
SMILESCCCOc1cncc(C(N)CC2=CCCCC2)c1
InChIInChI=1S/C16H24N2O/c1-2-8-19-15-10-14(11-18-12-15)16(17)9-13-6-4-3-5-7-13/h6,10-12,16H,2-5,7-9,17H2,1H3
InChIKeySBIFUPWMLNCKSU-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.76
Rot. Bonds6

About 2-(cyclohexen-1-yl)-1-(5-propoxy-3-pyridinyl)ethanamine

2-(cyclohexen-1-yl)-1-(5-propoxy-3-pyridinyl)ethanamine (PubChem CID 116661287) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(5-propoxy-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(5-propoxy-3-pyridinyl)ethanamine
PubChem CID116661287
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(cyclohexen-1-yl)-1-(5-propoxy-3-pyridinyl)ethanamine
SMILESCCCOc1cncc(C(N)CC2=CCCCC2)c1
InChIInChI=1S/C16H24N2O/c1-2-8-19-15-10-14(11-18-12-15)16(17)9-13-6-4-3-5-7-13/h6,10-12,16H,2-5,7-9,17H2,1H3
InChIKeySBIFUPWMLNCKSU-UHFFFAOYSA-N
XLogP3.76
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(cyclohexen-1-yl)-1-(5-propoxy-3-pyridinyl)ethanamine 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

[2-(cyclohexen-1-yl)-1-(5-methoxy-3-pyridinyl)ethyl]hydrazine
CID 105270168
2-(cyclohexen-1-yl)-1-(2-propoxyphenyl)ethanamine
CID 116661260
2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)ethanamine
CID 116661110
2-(cyclohexen-1-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
CID 116661576
(4-bromo-3,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methanamine
CID 114330234
2-ethoxy-3-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine
CID 116720905
2-(cyclohexen-1-yl)-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116661191
(5-propoxy-3-pyridinyl)-(thiolan-3-yl)methanamine
CID 105175729
1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103454750
1-[1-(cyclohexen-1-yl)-3-propylheptan-2-yl]-4-propoxybenzene
CID 57214892
1-(3,5-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026730
2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol
CID 115829169

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(5-propoxy-3-pyridinyl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(5-propoxy-3-pyridinyl)ethanamine (CID 116661287) is 2-(cyclohexen-1-yl)-1-(5-propoxy-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(5-propoxy-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(5-propoxy-3-pyridinyl)ethanamine is CCCOc1cncc(C(N)CC2=CCCCC2)c1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(5-propoxy-3-pyridinyl)ethanamine?
The InChIKey is SBIFUPWMLNCKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-8-19-15-10-14(11-18-12-15)16(17)9-13-6-4-3-5-7-13/h6,10-12,16H,2-5,7-9,17H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(5-propoxy-3-pyridinyl)ethanamine?
2-(cyclohexen-1-yl)-1-(5-propoxy-3-pyridinyl)ethanamine has a molecular weight of 260.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(5-propoxy-3-pyridinyl)ethanamine is sourced from PubChem (CID 116661287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).