5-[(3E,5Z)-6,7-dimethyl-4-prop-1-en-2-ylnona-1,3,5-trien-2-yl]-4-methoxy-1-methyl-3,6-dihydro-2H-pyridine

C21H33NO — CID 172616944

IUPAC5-[(3E,5Z)-6,7-dimethyl-4-prop-1-en-2-ylnona-1,3,5-trien-2-yl]-4-methoxy-1-methyl-3,6-dihydro-2H-pyridine
SMILESC=C(/C=C(\C=C(\C)C(C)CC)C(=C)C)C1=C(OC)CCN(C)C1
InChIInChI=1S/C21H33NO/c1-9-16(4)17(5)12-19(15(2)3)13-18(6)20-14-22(7)11-10-21(20)23-8/h12-13,16H,2,6,9-11,14H2,1,3-5,7-8H3/b17-12-,19-13+
InChIKeyIAFRCASQKJDMSZ-YLRSGACBSA-N
MW315.50 g/mol
LogP5.27
Rot. Bonds7

About 5-[(3E,5Z)-6,7-dimethyl-4-prop-1-en-2-ylnona-1,3,5-trien-2-yl]-4-methoxy-1-methyl-3,6-dihydro-2H-pyridine

5-[(3E,5Z)-6,7-dimethyl-4-prop-1-en-2-ylnona-1,3,5-trien-2-yl]-4-methoxy-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 172616944) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is 5-[(3E,5Z)-6,7-dimethyl-4-prop-1-en-2-ylnona-1,3,5-trien-2-yl]-4-methoxy-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-[(3E,5Z)-6,7-dimethyl-4-prop-1-en-2-ylnona-1,3,5-trien-2-yl]-4-methoxy-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID172616944
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name5-[(3E,5Z)-6,7-dimethyl-4-prop-1-en-2-ylnona-1,3,5-trien-2-yl]-4-methoxy-1-methyl-3,6-dihydro-2H-pyridine
SMILESC=C(/C=C(\C=C(\C)C(C)CC)C(=C)C)C1=C(OC)CCN(C)C1
InChIInChI=1S/C21H33NO/c1-9-16(4)17(5)12-19(15(2)3)13-18(6)20-14-22(7)11-10-21(20)23-8/h12-13,16H,2,6,9-11,14H2,1,3-5,7-8H3/b17-12-,19-13+
InChIKeyIAFRCASQKJDMSZ-YLRSGACBSA-N
XLogP5.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(3E,5Z)-6,7-dimethyl-4-prop-1-en-2-ylnona-1,3,5-trien-2-yl]-4-methoxy-1-methyl-3,6-dihydro-2H-pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3E,5Z)-6,7-dimethyl-4-prop-1-en-2-ylnona-1,3,5-trien-2-yl]-4-methoxy-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-[(3E,5Z)-6,7-dimethyl-4-prop-1-en-2-ylnona-1,3,5-trien-2-yl]-4-methoxy-1-methyl-3,6-dihydro-2H-pyridine (CID 172616944) is 5-[(3E,5Z)-6,7-dimethyl-4-prop-1-en-2-ylnona-1,3,5-trien-2-yl]-4-methoxy-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-[(3E,5Z)-6,7-dimethyl-4-prop-1-en-2-ylnona-1,3,5-trien-2-yl]-4-methoxy-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-[(3E,5Z)-6,7-dimethyl-4-prop-1-en-2-ylnona-1,3,5-trien-2-yl]-4-methoxy-1-methyl-3,6-dihydro-2H-pyridine is C=C(/C=C(\C=C(\C)C(C)CC)C(=C)C)C1=C(OC)CCN(C)C1.
What is the InChIKey of 5-[(3E,5Z)-6,7-dimethyl-4-prop-1-en-2-ylnona-1,3,5-trien-2-yl]-4-methoxy-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is IAFRCASQKJDMSZ-YLRSGACBSA-N. The full InChI is InChI=1S/C21H33NO/c1-9-16(4)17(5)12-19(15(2)3)13-18(6)20-14-22(7)11-10-21(20)23-8/h12-13,16H,2,6,9-11,14H2,1,3-5,7-8H3/b17-12-,19-13+.
What are the key properties of 5-[(3E,5Z)-6,7-dimethyl-4-prop-1-en-2-ylnona-1,3,5-trien-2-yl]-4-methoxy-1-methyl-3,6-dihydro-2H-pyridine?
5-[(3E,5Z)-6,7-dimethyl-4-prop-1-en-2-ylnona-1,3,5-trien-2-yl]-4-methoxy-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 315.50 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3E,5Z)-6,7-dimethyl-4-prop-1-en-2-ylnona-1,3,5-trien-2-yl]-4-methoxy-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 172616944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).