3-(1-ethoxyethenyl)pyridin-4-amine

C9H12N2O — CID 165464392

IUPAC3-(1-ethoxyethenyl)pyridin-4-amine
SMILESC=C(OCC)c1cnccc1N
InChIInChI=1S/C9H12N2O/c1-3-12-7(2)8-6-11-5-4-9(8)10/h4-6H,2-3H2,1H3,(H2,10,11)
InChIKeyBYUIQJVOVHYPIV-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.67
Rot. Bonds3

About 3-(1-ethoxyethenyl)pyridin-4-amine

3-(1-ethoxyethenyl)pyridin-4-amine (PubChem CID 165464392) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-(1-ethoxyethenyl)pyridin-4-amine.

Molecular Properties

Compound Name3-(1-ethoxyethenyl)pyridin-4-amine
PubChem CID165464392
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-(1-ethoxyethenyl)pyridin-4-amine
SMILESC=C(OCC)c1cnccc1N
InChIInChI=1S/C9H12N2O/c1-3-12-7(2)8-6-11-5-4-9(8)10/h4-6H,2-3H2,1H3,(H2,10,11)
InChIKeyBYUIQJVOVHYPIV-UHFFFAOYSA-N
XLogP1.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[3-(1-ethoxyethenyl)-4-pyridinyl]-N-methylmethanamine
CID 165467768
1-(4-amino-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one
CID 116747229
4-(1-ethoxyethenyl)-1H-pyrazol-5-amine
CID 143550439
1-(4-amino-3-pyridinyl)-3-ethylpent-2-en-1-one
CID 103458733
3-(1-ethoxyethenyl)-2-fluoroaniline
CID 165464592
2-(aminomethyl)-1-(4-amino-3-pyridinyl)-2-methylbutan-1-one
CID 116610776
2-amino-1-(4-amino-3-pyridinyl)-2-methylpentan-1-one
CID 116556928
1-(4-amino-3-pyridinyl)-4-methoxybutan-1-one
CID 65094552
4-amino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 81235993
ethyl 4-(hydroxymethyl)pyridine-3-carboxylate
CID 112757154
4-amino-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 104554326
ethyl 3-(4-ethoxy-3-pyridinyl)-3-oxopropanoate
CID 131852523

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethenyl)pyridin-4-amine?
The IUPAC name of 3-(1-ethoxyethenyl)pyridin-4-amine (CID 165464392) is 3-(1-ethoxyethenyl)pyridin-4-amine.
What is the SMILES notation for 3-(1-ethoxyethenyl)pyridin-4-amine?
The canonical SMILES for 3-(1-ethoxyethenyl)pyridin-4-amine is C=C(OCC)c1cnccc1N.
What is the InChIKey of 3-(1-ethoxyethenyl)pyridin-4-amine?
The InChIKey is BYUIQJVOVHYPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-3-12-7(2)8-6-11-5-4-9(8)10/h4-6H,2-3H2,1H3,(H2,10,11).
What are the key properties of 3-(1-ethoxyethenyl)pyridin-4-amine?
3-(1-ethoxyethenyl)pyridin-4-amine has a molecular weight of 164.21 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethenyl)pyridin-4-amine is sourced from PubChem (CID 165464392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).