N-[(3Z,5E)-5-ethenyldeca-1,3,5,9-tetraen-4-yl]-4,4-dimethylpent-1-en-3-imine

C19H27N — CID 170359947

IUPACN-[(3Z,5E)-5-ethenyldeca-1,3,5,9-tetraen-4-yl]-4,4-dimethylpent-1-en-3-imine
SMILESC=C/C=C(\N=C(/C=C)C(C)(C)C)C(C=C)=CCCC=C
InChIInChI=1S/C19H27N/c1-8-12-13-15-16(10-3)17(14-9-2)20-18(11-4)19(5,6)7/h8-11,14-15H,1-4,12-13H2,5-7H3/b16-15+,17-14-,20-18+
InChIKeyLMKGYOLCCHASMO-JZAXUSRTSA-N
MW269.43 g/mol
LogP5.81
Rot. Bonds8

About N-[(3Z,5E)-5-ethenyldeca-1,3,5,9-tetraen-4-yl]-4,4-dimethylpent-1-en-3-imine

N-[(3Z,5E)-5-ethenyldeca-1,3,5,9-tetraen-4-yl]-4,4-dimethylpent-1-en-3-imine (PubChem CID 170359947) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[(3Z,5E)-5-ethenyldeca-1,3,5,9-tetraen-4-yl]-4,4-dimethylpent-1-en-3-imine.

Molecular Properties

Compound NameN-[(3Z,5E)-5-ethenyldeca-1,3,5,9-tetraen-4-yl]-4,4-dimethylpent-1-en-3-imine
PubChem CID170359947
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-[(3Z,5E)-5-ethenyldeca-1,3,5,9-tetraen-4-yl]-4,4-dimethylpent-1-en-3-imine
SMILESC=C/C=C(\N=C(/C=C)C(C)(C)C)C(C=C)=CCCC=C
InChIInChI=1S/C19H27N/c1-8-12-13-15-16(10-3)17(14-9-2)20-18(11-4)19(5,6)7/h8-11,14-15H,1-4,12-13H2,5-7H3/b16-15+,17-14-,20-18+
InChIKeyLMKGYOLCCHASMO-JZAXUSRTSA-N
XLogP5.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.81
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'}

Analyze N-[(3Z,5E)-5-ethenyldeca-1,3,5,9-tetraen-4-yl]-4,4-dimethylpent-1-en-3-imine with MolForge

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Related Compounds

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2-(4-Prop-2-enyloct-1-en-4-yl)cyclopenta[b]pyrrole
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2-Methyl-3,6-dimethylidenepyridine
CID 70499080
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2,2,3,4-Tetramethylcarbazole
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Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5E)-5-ethenyldeca-1,3,5,9-tetraen-4-yl]-4,4-dimethylpent-1-en-3-imine?
The IUPAC name of N-[(3Z,5E)-5-ethenyldeca-1,3,5,9-tetraen-4-yl]-4,4-dimethylpent-1-en-3-imine (CID 170359947) is N-[(3Z,5E)-5-ethenyldeca-1,3,5,9-tetraen-4-yl]-4,4-dimethylpent-1-en-3-imine.
What is the SMILES notation for N-[(3Z,5E)-5-ethenyldeca-1,3,5,9-tetraen-4-yl]-4,4-dimethylpent-1-en-3-imine?
The canonical SMILES for N-[(3Z,5E)-5-ethenyldeca-1,3,5,9-tetraen-4-yl]-4,4-dimethylpent-1-en-3-imine is C=C/C=C(\N=C(/C=C)C(C)(C)C)C(C=C)=CCCC=C.
What is the InChIKey of N-[(3Z,5E)-5-ethenyldeca-1,3,5,9-tetraen-4-yl]-4,4-dimethylpent-1-en-3-imine?
The InChIKey is LMKGYOLCCHASMO-JZAXUSRTSA-N. The full InChI is InChI=1S/C19H27N/c1-8-12-13-15-16(10-3)17(14-9-2)20-18(11-4)19(5,6)7/h8-11,14-15H,1-4,12-13H2,5-7H3/b16-15+,17-14-,20-18+.
What are the key properties of N-[(3Z,5E)-5-ethenyldeca-1,3,5,9-tetraen-4-yl]-4,4-dimethylpent-1-en-3-imine?
N-[(3Z,5E)-5-ethenyldeca-1,3,5,9-tetraen-4-yl]-4,4-dimethylpent-1-en-3-imine has a molecular weight of 269.43 g/mol, XLogP of 5.81, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-5-ethenyldeca-1,3,5,9-tetraen-4-yl]-4,4-dimethylpent-1-en-3-imine is sourced from PubChem (CID 170359947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).