4-(4-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine

C11H16N2O — CID 170495538

IUPAC4-(4-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine
SMILESCNCCC=Cc1cnccc1OC
InChIInChI=1S/C11H16N2O/c1-12-7-4-3-5-10-9-13-8-6-11(10)14-2/h3,5-6,8-9,12H,4,7H2,1-2H3
InChIKeyLPQINDISKWKUFG-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.71
Rot. Bonds5

About 4-(4-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine

4-(4-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine (PubChem CID 170495538) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-(4-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name4-(4-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine
PubChem CID170495538
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-(4-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine
SMILESCNCCC=Cc1cnccc1OC
InChIInChI=1S/C11H16N2O/c1-12-7-4-3-5-10-9-13-8-6-11(10)14-2/h3,5-6,8-9,12H,4,7H2,1-2H3
InChIKeyLPQINDISKWKUFG-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine 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

4-(4-fluoro-2-methoxyphenyl)-N-methylbut-3-en-1-amine
CID 170495635
(E)-4-(2-fluoro-3-methoxyphenyl)-N-methylbut-3-en-1-amine
CID 82811076
4-(5-fluoro-2-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495839
3-ethenyl-4-methoxypyridine
CID 56972695
4,5-dimethoxy-2-[4-(methylamino)but-1-enyl]benzoic acid
CID 170496648
(E)-4-(2-fluoro-4-methoxyphenyl)-N-methylbut-3-en-1-amine
CID 103396908
4-(4-methoxy-3-methylphenyl)-N-methylbut-3-en-1-amine
CID 170495663
5-hydroxy-4-methoxy-2-[4-(methylamino)but-1-enyl]benzaldehyde
CID 170496309
4-methoxy-2-[4-(methylamino)but-1-enyl]benzaldehyde
CID 170496009
4-methoxy-2-[4-(methylamino)but-1-enyl]benzonitrile
CID 170496210
4-(2,5-dimethoxyphenyl)-N-ethylbut-3-en-1-amine
CID 79592499
4-(2-fluoro-3-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495257

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine?
The IUPAC name of 4-(4-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine (CID 170495538) is 4-(4-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine.
What is the SMILES notation for 4-(4-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine?
The canonical SMILES for 4-(4-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine is CNCCC=Cc1cnccc1OC.
What is the InChIKey of 4-(4-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine?
The InChIKey is LPQINDISKWKUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-12-7-4-3-5-10-9-13-8-6-11(10)14-2/h3,5-6,8-9,12H,4,7H2,1-2H3.
What are the key properties of 4-(4-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine?
4-(4-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine has a molecular weight of 192.26 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine is sourced from PubChem (CID 170495538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).