1-[3-(1-ethoxyethenyl)-4-pyridinyl]-N-methylmethanamine

C11H16N2O — CID 165467768

IUPAC1-[3-(1-ethoxyethenyl)-4-pyridinyl]-N-methylmethanamine
SMILESC=C(OCC)c1cnccc1CNC
InChIInChI=1S/C11H16N2O/c1-4-14-9(2)11-8-13-6-5-10(11)7-12-3/h5-6,8,12H,2,4,7H2,1,3H3
InChIKeyVWEBYPFFAKWLTP-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.81
Rot. Bonds5

About 1-[3-(1-ethoxyethenyl)-4-pyridinyl]-N-methylmethanamine

1-[3-(1-ethoxyethenyl)-4-pyridinyl]-N-methylmethanamine (PubChem CID 165467768) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[3-(1-ethoxyethenyl)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(1-ethoxyethenyl)-4-pyridinyl]-N-methylmethanamine
PubChem CID165467768
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[3-(1-ethoxyethenyl)-4-pyridinyl]-N-methylmethanamine
SMILESC=C(OCC)c1cnccc1CNC
InChIInChI=1S/C11H16N2O/c1-4-14-9(2)11-8-13-6-5-10(11)7-12-3/h5-6,8,12H,2,4,7H2,1,3H3
InChIKeyVWEBYPFFAKWLTP-UHFFFAOYSA-N
XLogP1.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.81
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

3-(1-ethoxyethenyl)pyridin-4-amine
CID 165464392
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
N-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine
CID 105074848
N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354
N-butyl-N-methyl-4-(methylaminomethyl)pyridin-3-amine
CID 105072693
ethyl 4-(hydroxymethyl)pyridine-3-carboxylate
CID 112757154
1-[3-(4-ethoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075216
N,N-diethyl-2-[[4-(methylaminomethyl)-3-pyridinyl]oxy]ethanamine
CID 105075378
2-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114699562
N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine
CID 105074964
N-methyl-4-(methylaminomethyl)-N-propan-2-ylpyridin-3-amine
CID 105072723
N-methyl-1-(4-propoxy-3-pyridinyl)methanamine
CID 81255157

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethoxyethenyl)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(1-ethoxyethenyl)-4-pyridinyl]-N-methylmethanamine (CID 165467768) is 1-[3-(1-ethoxyethenyl)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(1-ethoxyethenyl)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(1-ethoxyethenyl)-4-pyridinyl]-N-methylmethanamine is C=C(OCC)c1cnccc1CNC.
What is the InChIKey of 1-[3-(1-ethoxyethenyl)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is VWEBYPFFAKWLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-14-9(2)11-8-13-6-5-10(11)7-12-3/h5-6,8,12H,2,4,7H2,1,3H3.
What are the key properties of 1-[3-(1-ethoxyethenyl)-4-pyridinyl]-N-methylmethanamine?
1-[3-(1-ethoxyethenyl)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 192.26 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethoxyethenyl)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 165467768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).