3-ethenyl-2-ethyl-N-(4-methylnona-4,6-dien-8-ynyl)pent-4-en-1-imine

C19H27N — CID 123737093

IUPAC3-ethenyl-2-ethyl-N-(4-methylnona-4,6-dien-8-ynyl)pent-4-en-1-imine
SMILESC#CC=CC=C(C)CCC/N=C/C(CC)C(C=C)C=C
InChIInChI=1S/C19H27N/c1-6-10-11-13-17(5)14-12-15-20-16-19(9-4)18(7-2)8-3/h1,7-8,10-11,13,16,18-19H,2-3,9,12,14-15H2,4-5H3/b11-10?,17-13?,20-16+
InChIKeyOYCLKOSOZCXLEL-CFXCJDEASA-N
MW269.43 g/mol
LogP4.99
Rot. Bonds10

About 3-ethenyl-2-ethyl-N-(4-methylnona-4,6-dien-8-ynyl)pent-4-en-1-imine

3-ethenyl-2-ethyl-N-(4-methylnona-4,6-dien-8-ynyl)pent-4-en-1-imine (PubChem CID 123737093) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-ethenyl-2-ethyl-N-(4-methylnona-4,6-dien-8-ynyl)pent-4-en-1-imine.

Molecular Properties

Compound Name3-ethenyl-2-ethyl-N-(4-methylnona-4,6-dien-8-ynyl)pent-4-en-1-imine
PubChem CID123737093
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name3-ethenyl-2-ethyl-N-(4-methylnona-4,6-dien-8-ynyl)pent-4-en-1-imine
SMILESC#CC=CC=C(C)CCC/N=C/C(CC)C(C=C)C=C
InChIInChI=1S/C19H27N/c1-6-10-11-13-17(5)14-12-15-20-16-19(9-4)18(7-2)8-3/h1,7-8,10-11,13,16,18-19H,2-3,9,12,14-15H2,4-5H3/b11-10?,17-13?,20-16+
InChIKeyOYCLKOSOZCXLEL-CFXCJDEASA-N
XLogP4.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-2,6,6-trimethyl-3-propan-2-ylhept-4-enyl]butan-1-imine
CID 88870595
(Z)-N-(2-ethyl-4-ethylidene-3-methylnon-5-en-8-ynyl)-2-prop-1-en-2-ylbut-2-en-1-imine
CID 123704449
N-[(5E)-3,7-dimethylocta-5,7-dienyl]ethanimine
CID 132029852
N-[(5E,7E,9Z,11E)-4-methylheptadeca-5,7,9,11-tetraenyl]propan-1-imine
CID 132204967
2,3-dimethyl-N-[(Z)-3-methyl-4-methylidenehept-5-en-2-yl]butan-1-imine
CID 134419693
N-[[7-[(2S)-butan-2-yl]cyclohepta-1,3,6-trien-1-yl]methyl]propan-1-imine
CID 146180344
ethene;(5E,6Z)-5-ethylidene-4,6-dimethyl-7-propan-2-yl-3,4-dihydro-2H-azocine
CID 153397887
N-[(4E)-3,4-dimethylhepta-4,6-dien-2-yl]-2,3-dimethylbutan-1-imine
CID 166973899
(E)-N-(2,3-dimethylpentyl)-3,3-dimethylhept-5-en-1-imine
CID 169936058
(2Z,5Z)-N,3,5-trimethyl-4-propan-2-yl-2-prop-1-en-2-ylocta-2,5,7-trien-1-imine
CID 170381400
(3S)-4-[(2Z,4Z)-hexa-2,4-dienyl]-3-methyl-2,3,4,5-tetrahydropyridine
CID 174019326

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-ethyl-N-(4-methylnona-4,6-dien-8-ynyl)pent-4-en-1-imine?
The IUPAC name of 3-ethenyl-2-ethyl-N-(4-methylnona-4,6-dien-8-ynyl)pent-4-en-1-imine (CID 123737093) is 3-ethenyl-2-ethyl-N-(4-methylnona-4,6-dien-8-ynyl)pent-4-en-1-imine.
What is the SMILES notation for 3-ethenyl-2-ethyl-N-(4-methylnona-4,6-dien-8-ynyl)pent-4-en-1-imine?
The canonical SMILES for 3-ethenyl-2-ethyl-N-(4-methylnona-4,6-dien-8-ynyl)pent-4-en-1-imine is C#CC=CC=C(C)CCC/N=C/C(CC)C(C=C)C=C.
What is the InChIKey of 3-ethenyl-2-ethyl-N-(4-methylnona-4,6-dien-8-ynyl)pent-4-en-1-imine?
The InChIKey is OYCLKOSOZCXLEL-CFXCJDEASA-N. The full InChI is InChI=1S/C19H27N/c1-6-10-11-13-17(5)14-12-15-20-16-19(9-4)18(7-2)8-3/h1,7-8,10-11,13,16,18-19H,2-3,9,12,14-15H2,4-5H3/b11-10?,17-13?,20-16+.
What are the key properties of 3-ethenyl-2-ethyl-N-(4-methylnona-4,6-dien-8-ynyl)pent-4-en-1-imine?
3-ethenyl-2-ethyl-N-(4-methylnona-4,6-dien-8-ynyl)pent-4-en-1-imine has a molecular weight of 269.43 g/mol, XLogP of 4.99, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-ethyl-N-(4-methylnona-4,6-dien-8-ynyl)pent-4-en-1-imine is sourced from PubChem (CID 123737093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).