1-(6-ethoxy-3-pyridinyl)prop-2-en-1-amine

C10H14N2O — CID 55294382

IUPAC1-(6-ethoxy-3-pyridinyl)prop-2-en-1-amine
SMILESC=CC(N)c1ccc(OCC)nc1
InChIInChI=1S/C10H14N2O/c1-3-9(11)8-5-6-10(12-7-8)13-4-2/h3,5-7,9H,1,4,11H2,2H3
InChIKeyGBLIBPOQUBOOEY-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.67
Rot. Bonds4

About 1-(6-ethoxy-3-pyridinyl)prop-2-en-1-amine

1-(6-ethoxy-3-pyridinyl)prop-2-en-1-amine (PubChem CID 55294382) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(6-ethoxy-3-pyridinyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(6-ethoxy-3-pyridinyl)prop-2-en-1-amine
PubChem CID55294382
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-(6-ethoxy-3-pyridinyl)prop-2-en-1-amine
SMILESC=CC(N)c1ccc(OCC)nc1
InChIInChI=1S/C10H14N2O/c1-3-9(11)8-5-6-10(12-7-8)13-4-2/h3,5-7,9H,1,4,11H2,2H3
InChIKeyGBLIBPOQUBOOEY-UHFFFAOYSA-N
XLogP1.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(6-ethoxy-3-pyridinyl)ethane-1,2-diamine
CID 55275153
(3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol
CID 55269772
1-(3,4-diethoxyphenyl)prop-2-en-1-amine
CID 105000806
3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol
CID 170828157
(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine
CID 130664334
(1S)-1-(3-ethoxyphenyl)prop-2-en-1-amine
CID 171225218
(3R)-3-(6-ethoxy-3-pyridinyl)butan-1-ol
CID 145499112
(1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine
CID 171203601
1-(6-ethoxy-3-pyridinyl)butane-1,2,4-triol
CID 171872420
4-(6-ethoxy-3-pyridinyl)-3,4-dihydroxybutanamide
CID 171899294
N-[5-[(1R)-1-aminoprop-2-enyl]-2-pyridinyl]acetamide
CID 55274663
N-[5-[(1S)-1-aminoprop-2-enyl]-2-pyridinyl]acetamide
CID 130955914

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-3-pyridinyl)prop-2-en-1-amine?
The IUPAC name of 1-(6-ethoxy-3-pyridinyl)prop-2-en-1-amine (CID 55294382) is 1-(6-ethoxy-3-pyridinyl)prop-2-en-1-amine.
What is the SMILES notation for 1-(6-ethoxy-3-pyridinyl)prop-2-en-1-amine?
The canonical SMILES for 1-(6-ethoxy-3-pyridinyl)prop-2-en-1-amine is C=CC(N)c1ccc(OCC)nc1.
What is the InChIKey of 1-(6-ethoxy-3-pyridinyl)prop-2-en-1-amine?
The InChIKey is GBLIBPOQUBOOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-9(11)8-5-6-10(12-7-8)13-4-2/h3,5-7,9H,1,4,11H2,2H3.
What are the key properties of 1-(6-ethoxy-3-pyridinyl)prop-2-en-1-amine?
1-(6-ethoxy-3-pyridinyl)prop-2-en-1-amine has a molecular weight of 178.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-3-pyridinyl)prop-2-en-1-amine is sourced from PubChem (CID 55294382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).