4-hepta-2,4-dien-4-yl-2-hept-1-en-2-yl-6-pent-4-enyl-3,4-dihydropyridine

C24H37N — CID 123287010

IUPAC4-hepta-2,4-dien-4-yl-2-hept-1-en-2-yl-6-pent-4-enyl-3,4-dihydropyridine
SMILESC=CCCCC1=CC(C(C=CC)=CCC)CC(C(=C)CCCCC)=N1
InChIInChI=1S/C24H37N/c1-6-10-12-16-20(5)24-19-22(21(14-8-3)15-9-4)18-23(25-24)17-13-11-7-2/h7-8,14-15,18,22H,2,5-6,9-13,16-17,19H2,1,3-4H3
InChIKeyIKXVMSAUXHFRRO-UHFFFAOYSA-N
MW339.57 g/mol
LogP7.74
Rot. Bonds12

About 4-hepta-2,4-dien-4-yl-2-hept-1-en-2-yl-6-pent-4-enyl-3,4-dihydropyridine

4-hepta-2,4-dien-4-yl-2-hept-1-en-2-yl-6-pent-4-enyl-3,4-dihydropyridine (PubChem CID 123287010) has the molecular formula C24H37N and a molecular weight of 339.57 g/mol. Its IUPAC name is 4-hepta-2,4-dien-4-yl-2-hept-1-en-2-yl-6-pent-4-enyl-3,4-dihydropyridine.

Molecular Properties

Compound Name4-hepta-2,4-dien-4-yl-2-hept-1-en-2-yl-6-pent-4-enyl-3,4-dihydropyridine
PubChem CID123287010
Molecular FormulaC24H37N
Molecular Weight339.57 g/mol
Exact Mass339.29
IUPAC Name4-hepta-2,4-dien-4-yl-2-hept-1-en-2-yl-6-pent-4-enyl-3,4-dihydropyridine
SMILESC=CCCCC1=CC(C(C=CC)=CCC)CC(C(=C)CCCCC)=N1
InChIInChI=1S/C24H37N/c1-6-10-12-16-20(5)24-19-22(21(14-8-3)15-9-4)18-23(25-24)17-13-11-7-2/h7-8,14-15,18,22H,2,5-6,9-13,16-17,19H2,1,3-4H3
InChIKeyIKXVMSAUXHFRRO-UHFFFAOYSA-N
XLogP7.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.57
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-butyl-1,1-difluoro-4-[(Z)-3-methylpent-1-enyl]-N-pent-1-en-2-yldec-3-en-2-imine
CID 155441645
1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine
CID 167030836
(E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine;ethane
CID 170647063
(E)-3-butan-2-yl-N-[(1E)-1-fluorobuta-1,3-dienyl]-4,9-dimethyldec-3-en-2-imine
CID 173651074
(7Z,9Z,11E)-8-fluoro-9-methyl-N-[(Z)-pent-2-en-3-yl]-7-propan-2-yltrideca-7,9,11-trien-3-imine
CID 174349263
Octahydrobenz[c]acridine
CID 129784401
(E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine
CID 170647064
2-Decan-2-ylporphyrin
CID 68760089
2-Methylidene-4-pentyl-4,5,6,7-tetrahydroindole
CID 70432920
4,7-Dimethyl-1,5,5a,6-tetrahydroquinolino[3,2-c]acridine
CID 87436462
2-[10-[4-(3,4,4a,5-Tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6-methyl-3,4-dihydropyridine
CID 89001014
2-methyl-6-[(9Z,11E,13E)-15-methyl-14-tricyclo[6.6.2.04,16]hexadeca-1,5,9,11,13-pentaenyl]-3,4-dihydropyridine
CID 89431640

Frequently Asked Questions

What is the IUPAC name of 4-hepta-2,4-dien-4-yl-2-hept-1-en-2-yl-6-pent-4-enyl-3,4-dihydropyridine?
The IUPAC name of 4-hepta-2,4-dien-4-yl-2-hept-1-en-2-yl-6-pent-4-enyl-3,4-dihydropyridine (CID 123287010) is 4-hepta-2,4-dien-4-yl-2-hept-1-en-2-yl-6-pent-4-enyl-3,4-dihydropyridine.
What is the SMILES notation for 4-hepta-2,4-dien-4-yl-2-hept-1-en-2-yl-6-pent-4-enyl-3,4-dihydropyridine?
The canonical SMILES for 4-hepta-2,4-dien-4-yl-2-hept-1-en-2-yl-6-pent-4-enyl-3,4-dihydropyridine is C=CCCCC1=CC(C(C=CC)=CCC)CC(C(=C)CCCCC)=N1.
What is the InChIKey of 4-hepta-2,4-dien-4-yl-2-hept-1-en-2-yl-6-pent-4-enyl-3,4-dihydropyridine?
The InChIKey is IKXVMSAUXHFRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N/c1-6-10-12-16-20(5)24-19-22(21(14-8-3)15-9-4)18-23(25-24)17-13-11-7-2/h7-8,14-15,18,22H,2,5-6,9-13,16-17,19H2,1,3-4H3.
What are the key properties of 4-hepta-2,4-dien-4-yl-2-hept-1-en-2-yl-6-pent-4-enyl-3,4-dihydropyridine?
4-hepta-2,4-dien-4-yl-2-hept-1-en-2-yl-6-pent-4-enyl-3,4-dihydropyridine has a molecular weight of 339.57 g/mol, XLogP of 7.74, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hepta-2,4-dien-4-yl-2-hept-1-en-2-yl-6-pent-4-enyl-3,4-dihydropyridine is sourced from PubChem (CID 123287010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).