2-[(3E,10Z)-6,9-dimethyl-7-methylidenetrideca-3,10-dien-4-yl]-4-methyl-1,2-dihydropyridine

C22H35N — CID 138513978

IUPAC2-[(3E,10Z)-6,9-dimethyl-7-methylidenetrideca-3,10-dien-4-yl]-4-methyl-1,2-dihydropyridine
SMILESC=C(CC(C)/C=C\CC)C(C)C/C(=C\CC)C1C=C(C)C=CN1
InChIInChI=1S/C22H35N/c1-7-9-11-17(3)14-19(5)20(6)16-21(10-8-2)22-15-18(4)12-13-23-22/h9-13,15,17,20,22-23H,5,7-8,14,16H2,1-4,6H3/b11-9-,21-10+
InChIKeyRWZVKVWIZXAOTQ-LONVQWMRSA-N
MW313.53 g/mol
LogP6.33
Rot. Bonds9

About 2-[(3E,10Z)-6,9-dimethyl-7-methylidenetrideca-3,10-dien-4-yl]-4-methyl-1,2-dihydropyridine

2-[(3E,10Z)-6,9-dimethyl-7-methylidenetrideca-3,10-dien-4-yl]-4-methyl-1,2-dihydropyridine (PubChem CID 138513978) has the molecular formula C22H35N and a molecular weight of 313.53 g/mol. Its IUPAC name is 2-[(3E,10Z)-6,9-dimethyl-7-methylidenetrideca-3,10-dien-4-yl]-4-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name2-[(3E,10Z)-6,9-dimethyl-7-methylidenetrideca-3,10-dien-4-yl]-4-methyl-1,2-dihydropyridine
PubChem CID138513978
Molecular FormulaC22H35N
Molecular Weight313.53 g/mol
Exact Mass313.28
IUPAC Name2-[(3E,10Z)-6,9-dimethyl-7-methylidenetrideca-3,10-dien-4-yl]-4-methyl-1,2-dihydropyridine
SMILESC=C(CC(C)/C=C\CC)C(C)C/C(=C\CC)C1C=C(C)C=CN1
InChIInChI=1S/C22H35N/c1-7-9-11-17(3)14-19(5)20(6)16-21(10-8-2)22-15-18(4)12-13-23-22/h9-13,15,17,20,22-23H,5,7-8,14,16H2,1-4,6H3/b11-9-,21-10+
InChIKeyRWZVKVWIZXAOTQ-LONVQWMRSA-N
XLogP6.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3E,10Z)-6,9-dimethyl-7-methylidenetrideca-3,10-dien-4-yl]-4-methyl-1,2-dihydropyridine?
The IUPAC name of 2-[(3E,10Z)-6,9-dimethyl-7-methylidenetrideca-3,10-dien-4-yl]-4-methyl-1,2-dihydropyridine (CID 138513978) is 2-[(3E,10Z)-6,9-dimethyl-7-methylidenetrideca-3,10-dien-4-yl]-4-methyl-1,2-dihydropyridine.
What is the SMILES notation for 2-[(3E,10Z)-6,9-dimethyl-7-methylidenetrideca-3,10-dien-4-yl]-4-methyl-1,2-dihydropyridine?
The canonical SMILES for 2-[(3E,10Z)-6,9-dimethyl-7-methylidenetrideca-3,10-dien-4-yl]-4-methyl-1,2-dihydropyridine is C=C(CC(C)/C=C\CC)C(C)C/C(=C\CC)C1C=C(C)C=CN1.
What is the InChIKey of 2-[(3E,10Z)-6,9-dimethyl-7-methylidenetrideca-3,10-dien-4-yl]-4-methyl-1,2-dihydropyridine?
The InChIKey is RWZVKVWIZXAOTQ-LONVQWMRSA-N. The full InChI is InChI=1S/C22H35N/c1-7-9-11-17(3)14-19(5)20(6)16-21(10-8-2)22-15-18(4)12-13-23-22/h9-13,15,17,20,22-23H,5,7-8,14,16H2,1-4,6H3/b11-9-,21-10+.
What are the key properties of 2-[(3E,10Z)-6,9-dimethyl-7-methylidenetrideca-3,10-dien-4-yl]-4-methyl-1,2-dihydropyridine?
2-[(3E,10Z)-6,9-dimethyl-7-methylidenetrideca-3,10-dien-4-yl]-4-methyl-1,2-dihydropyridine has a molecular weight of 313.53 g/mol, XLogP of 6.33, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,10Z)-6,9-dimethyl-7-methylidenetrideca-3,10-dien-4-yl]-4-methyl-1,2-dihydropyridine is sourced from PubChem (CID 138513978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).