11-ethylidenetetradeca-9,12-dien-5-imine

C16H27N — CID 123235683

IUPAC11-ethylidenetetradeca-9,12-dien-5-imine
SMILES[H]/N=C(\CCCC)CCCC=CC(C=CC)=CC
InChIInChI=1S/C16H27N/c1-4-7-13-16(17)14-10-8-9-12-15(6-3)11-5-2/h5-6,9,11-12,17H,4,7-8,10,13-14H2,1-3H3/b11-5?,12-9?,15-6?,17-16+
InChIKeyNNRQTSXCXSENTM-VVILLHNDSA-N
MW233.40 g/mol
LogP5.45
Rot. Bonds9

About 11-ethylidenetetradeca-9,12-dien-5-imine

11-ethylidenetetradeca-9,12-dien-5-imine (PubChem CID 123235683) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 11-ethylidenetetradeca-9,12-dien-5-imine.

Molecular Properties

Compound Name11-ethylidenetetradeca-9,12-dien-5-imine
PubChem CID123235683
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name11-ethylidenetetradeca-9,12-dien-5-imine
SMILES[H]/N=C(\CCCC)CCCC=CC(C=CC)=CC
InChIInChI=1S/C16H27N/c1-4-7-13-16(17)14-10-8-9-12-15(6-3)11-5-2/h5-6,9,11-12,17H,4,7-8,10,13-14H2,1-3H3/b11-5?,12-9?,15-6?,17-16+
InChIKeyNNRQTSXCXSENTM-VVILLHNDSA-N
XLogP5.45
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.40
LogP ≤ 55.45
H-Bond Donors ≤ 51
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6,10,15,19,23-Pentamethyltetracosa-6,10,14,18,22-pentaen-2-imine
CID 53649182
(3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine
CID 154987810
2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine
CID 143814371
3,5,6,7-Tetrahydroinden-4-imine
CID 57171416
2-Cyclopenta-1,3-dien-1-ylcyclopent-2-en-1-imine
CID 57208179
2,30-Dimethylhentriaconta-2,29-diene-6,26-diimine
CID 58149349
(4Z)-4-methylcyclooct-4-en-1-imine
CID 59932861
2-Ethylcyclohexa-2,4-dien-1-imine
CID 68768771
2-Hexylcyclohexa-2,5-diene-1,4-diimine
CID 70145261
(4E,9Z,11Z)-5-ethyltrideca-4,9,11-trien-2-yn-6-imine
CID 88893179
1-(2,5-Dimethylcyclohexa-1,3-dien-1-yl)butan-1-imine
CID 88907679
(2Z,5Z,9Z)-2,6,10-trimethylcyclododeca-2,5,9-trien-1-imine
CID 89038332

Frequently Asked Questions

What is the IUPAC name of 11-ethylidenetetradeca-9,12-dien-5-imine?
The IUPAC name of 11-ethylidenetetradeca-9,12-dien-5-imine (CID 123235683) is 11-ethylidenetetradeca-9,12-dien-5-imine.
What is the SMILES notation for 11-ethylidenetetradeca-9,12-dien-5-imine?
The canonical SMILES for 11-ethylidenetetradeca-9,12-dien-5-imine is [H]/N=C(\CCCC)CCCC=CC(C=CC)=CC.
What is the InChIKey of 11-ethylidenetetradeca-9,12-dien-5-imine?
The InChIKey is NNRQTSXCXSENTM-VVILLHNDSA-N. The full InChI is InChI=1S/C16H27N/c1-4-7-13-16(17)14-10-8-9-12-15(6-3)11-5-2/h5-6,9,11-12,17H,4,7-8,10,13-14H2,1-3H3/b11-5?,12-9?,15-6?,17-16+.
What are the key properties of 11-ethylidenetetradeca-9,12-dien-5-imine?
11-ethylidenetetradeca-9,12-dien-5-imine has a molecular weight of 233.40 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethylidenetetradeca-9,12-dien-5-imine is sourced from PubChem (CID 123235683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).