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

C11H16N2O — CID 105065296

IUPAC1-(3-methoxy-4-pyridinyl)-N-methylbut-3-en-1-amine
SMILESC=CCC(NC)c1ccncc1OC
InChIInChI=1S/C11H16N2O/c1-4-5-10(12-2)9-6-7-13-8-11(9)14-3/h4,6-8,10,12H,1,5H2,2-3H3
InChIKeyPHMXNVNMFRLEPU-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.93
Rot. Bonds5

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

1-(3-methoxy-4-pyridinyl)-N-methylbut-3-en-1-amine (PubChem CID 105065296) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(3-methoxy-4-pyridinyl)-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(3-methoxy-4-pyridinyl)-N-methylbut-3-en-1-amine
PubChem CID105065296
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(3-methoxy-4-pyridinyl)-N-methylbut-3-en-1-amine
SMILESC=CCC(NC)c1ccncc1OC
InChIInChI=1S/C11H16N2O/c1-4-5-10(12-2)9-6-7-13-8-11(9)14-3/h4,6-8,10,12H,1,5H2,2-3H3
InChIKeyPHMXNVNMFRLEPU-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
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

1-(3-methoxy-4-pyridinyl)-N-methylhex-5-en-1-amine
CID 105065658
1-(3-methoxy-4-pyridinyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105065859
3-[1-(methylamino)but-3-enyl]pyridin-4-amine
CID 116660648
N-ethyl-1-(3-methoxy-4-pyridinyl)hex-5-en-1-amine
CID 105065659
2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
CID 105065334
2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
CID 105065184
1-(3-methoxy-4-pyridinyl)prop-2-enylhydrazine
CID 105318105
1-(3-methoxy-4-pyridinyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030781
[2-cyclobutyl-1-(3-methoxy-4-pyridinyl)ethyl]hydrazine
CID 105310161
1-(3-methoxy-4-pyridinyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105065787
1-(4-ethylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065349
1-(3,5-dimethylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065247

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-pyridinyl)-N-methylbut-3-en-1-amine?
The IUPAC name of 1-(3-methoxy-4-pyridinyl)-N-methylbut-3-en-1-amine (CID 105065296) is 1-(3-methoxy-4-pyridinyl)-N-methylbut-3-en-1-amine.
What is the SMILES notation for 1-(3-methoxy-4-pyridinyl)-N-methylbut-3-en-1-amine?
The canonical SMILES for 1-(3-methoxy-4-pyridinyl)-N-methylbut-3-en-1-amine is C=CCC(NC)c1ccncc1OC.
What is the InChIKey of 1-(3-methoxy-4-pyridinyl)-N-methylbut-3-en-1-amine?
The InChIKey is PHMXNVNMFRLEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-5-10(12-2)9-6-7-13-8-11(9)14-3/h4,6-8,10,12H,1,5H2,2-3H3.
What are the key properties of 1-(3-methoxy-4-pyridinyl)-N-methylbut-3-en-1-amine?
1-(3-methoxy-4-pyridinyl)-N-methylbut-3-en-1-amine has a molecular weight of 192.26 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-pyridinyl)-N-methylbut-3-en-1-amine is sourced from PubChem (CID 105065296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).