4-[4-[(E)-2,3-dimethoxyprop-1-enyl]-5-ethenyl-3,6-dihydro-2H-pyridin-1-yl]-N-methylbutan-1-amine

C17H30N2O2 — CID 143182424

IUPAC4-[4-[(E)-2,3-dimethoxyprop-1-enyl]-5-ethenyl-3,6-dihydro-2H-pyridin-1-yl]-N-methylbutan-1-amine
SMILESC=CC1=C(/C=C(\COC)OC)CCN(CCCCNC)C1
InChIInChI=1S/C17H30N2O2/c1-5-15-13-19(10-7-6-9-18-2)11-8-16(15)12-17(21-4)14-20-3/h5,12,18H,1,6-11,13-14H2,2-4H3/b17-12+
InChIKeyIRFOJFILDBXYGM-SFQUDFHCSA-N
MW294.44 g/mol
LogP2.35
Rot. Bonds10

About 4-[4-[(E)-2,3-dimethoxyprop-1-enyl]-5-ethenyl-3,6-dihydro-2H-pyridin-1-yl]-N-methylbutan-1-amine

4-[4-[(E)-2,3-dimethoxyprop-1-enyl]-5-ethenyl-3,6-dihydro-2H-pyridin-1-yl]-N-methylbutan-1-amine (PubChem CID 143182424) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-[4-[(E)-2,3-dimethoxyprop-1-enyl]-5-ethenyl-3,6-dihydro-2H-pyridin-1-yl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-[4-[(E)-2,3-dimethoxyprop-1-enyl]-5-ethenyl-3,6-dihydro-2H-pyridin-1-yl]-N-methylbutan-1-amine
PubChem CID143182424
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name4-[4-[(E)-2,3-dimethoxyprop-1-enyl]-5-ethenyl-3,6-dihydro-2H-pyridin-1-yl]-N-methylbutan-1-amine
SMILESC=CC1=C(/C=C(\COC)OC)CCN(CCCCNC)C1
InChIInChI=1S/C17H30N2O2/c1-5-15-13-19(10-7-6-9-18-2)11-8-16(15)12-17(21-4)14-20-3/h5,12,18H,1,6-11,13-14H2,2-4H3/b17-12+
InChIKeyIRFOJFILDBXYGM-SFQUDFHCSA-N
XLogP2.35
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-2,3-dimethoxyprop-1-enyl]-5-ethenyl-3,6-dihydro-2H-pyridin-1-yl]-N-methylbutan-1-amine?
The IUPAC name of 4-[4-[(E)-2,3-dimethoxyprop-1-enyl]-5-ethenyl-3,6-dihydro-2H-pyridin-1-yl]-N-methylbutan-1-amine (CID 143182424) is 4-[4-[(E)-2,3-dimethoxyprop-1-enyl]-5-ethenyl-3,6-dihydro-2H-pyridin-1-yl]-N-methylbutan-1-amine.
What is the SMILES notation for 4-[4-[(E)-2,3-dimethoxyprop-1-enyl]-5-ethenyl-3,6-dihydro-2H-pyridin-1-yl]-N-methylbutan-1-amine?
The canonical SMILES for 4-[4-[(E)-2,3-dimethoxyprop-1-enyl]-5-ethenyl-3,6-dihydro-2H-pyridin-1-yl]-N-methylbutan-1-amine is C=CC1=C(/C=C(\COC)OC)CCN(CCCCNC)C1.
What is the InChIKey of 4-[4-[(E)-2,3-dimethoxyprop-1-enyl]-5-ethenyl-3,6-dihydro-2H-pyridin-1-yl]-N-methylbutan-1-amine?
The InChIKey is IRFOJFILDBXYGM-SFQUDFHCSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-15-13-19(10-7-6-9-18-2)11-8-16(15)12-17(21-4)14-20-3/h5,12,18H,1,6-11,13-14H2,2-4H3/b17-12+.
What are the key properties of 4-[4-[(E)-2,3-dimethoxyprop-1-enyl]-5-ethenyl-3,6-dihydro-2H-pyridin-1-yl]-N-methylbutan-1-amine?
4-[4-[(E)-2,3-dimethoxyprop-1-enyl]-5-ethenyl-3,6-dihydro-2H-pyridin-1-yl]-N-methylbutan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 2.35, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-2,3-dimethoxyprop-1-enyl]-5-ethenyl-3,6-dihydro-2H-pyridin-1-yl]-N-methylbutan-1-amine is sourced from PubChem (CID 143182424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).