(3Z,5Z)-4-buta-1,3-dien-2-yl-N-ethenyl-3-ethylocta-3,5,7-trien-2-imine

C16H21N — CID 134419880

IUPAC(3Z,5Z)-4-buta-1,3-dien-2-yl-N-ethenyl-3-ethylocta-3,5,7-trien-2-imine
SMILESC=C/C=C\C(C(=C)C=C)=C(CC)\C(C)=N\C=C
InChIInChI=1S/C16H21N/c1-7-11-12-16(13(5)8-2)15(9-3)14(6)17-10-4/h7-8,10-12H,1-2,4-5,9H2,3,6H3/b12-11-,16-15-,17-14+
InChIKeyMLOIUQRYBFNQLZ-HKQFFIRXSA-N
MW227.35 g/mol
LogP4.78
Rot. Bonds7

About (3Z,5Z)-4-buta-1,3-dien-2-yl-N-ethenyl-3-ethylocta-3,5,7-trien-2-imine

(3Z,5Z)-4-buta-1,3-dien-2-yl-N-ethenyl-3-ethylocta-3,5,7-trien-2-imine (PubChem CID 134419880) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is (3Z,5Z)-4-buta-1,3-dien-2-yl-N-ethenyl-3-ethylocta-3,5,7-trien-2-imine.

Molecular Properties

Compound Name(3Z,5Z)-4-buta-1,3-dien-2-yl-N-ethenyl-3-ethylocta-3,5,7-trien-2-imine
PubChem CID134419880
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name(3Z,5Z)-4-buta-1,3-dien-2-yl-N-ethenyl-3-ethylocta-3,5,7-trien-2-imine
SMILESC=C/C=C\C(C(=C)C=C)=C(CC)\C(C)=N\C=C
InChIInChI=1S/C16H21N/c1-7-11-12-16(13(5)8-2)15(9-3)14(6)17-10-4/h7-8,10-12H,1-2,4-5,9H2,3,6H3/b12-11-,16-15-,17-14+
InChIKeyMLOIUQRYBFNQLZ-HKQFFIRXSA-N
XLogP4.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-4-buta-1,3-dien-2-yl-N-ethenyl-3-ethylocta-3,5,7-trien-2-imine with MolForge

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Related Compounds

3H-Azepine, 2,5-bis(1,1-dimethylethyl)-
CID 10998164
(1Z)-1-Benzazocine
CID 17846319
2-Pentylazocine
CID 57095178
(3Z,5Z,7Z)-2,3-bis[(3Z,5Z,7Z)-azocin-2-yl]azocine
CID 129643885
N-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine
CID 123854580
(3E)-3-fluoro-4-[[(5Z)-6-methyl-3-methylidene-4-propan-2-ylideneocta-5,7-dien-2-ylidene]amino]buta-1,3-dien-2-amine
CID 130336733
2-[(2Z,4Z)-3-fluorohexa-2,4-dien-2-yl]-3,8-dimethylideneazecine
CID 130341015
6-[(E)-1-fluoroprop-1-enyl]-5,7-dimethyl-4H-azepine
CID 144030424
2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine
CID 144248551
(1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine
CID 155181207
(3E,5E)-3-ethenyl-N-(2-methylprop-1-enyl)-6-(trifluoromethyl)nona-3,5-dien-2-imine
CID 156184674
(2Z,7E)-9-methyl-8-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-5,6-dihydro-4H-azonine
CID 163862604

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-buta-1,3-dien-2-yl-N-ethenyl-3-ethylocta-3,5,7-trien-2-imine?
The IUPAC name of (3Z,5Z)-4-buta-1,3-dien-2-yl-N-ethenyl-3-ethylocta-3,5,7-trien-2-imine (CID 134419880) is (3Z,5Z)-4-buta-1,3-dien-2-yl-N-ethenyl-3-ethylocta-3,5,7-trien-2-imine.
What is the SMILES notation for (3Z,5Z)-4-buta-1,3-dien-2-yl-N-ethenyl-3-ethylocta-3,5,7-trien-2-imine?
The canonical SMILES for (3Z,5Z)-4-buta-1,3-dien-2-yl-N-ethenyl-3-ethylocta-3,5,7-trien-2-imine is C=C/C=C\C(C(=C)C=C)=C(CC)\C(C)=N\C=C.
What is the InChIKey of (3Z,5Z)-4-buta-1,3-dien-2-yl-N-ethenyl-3-ethylocta-3,5,7-trien-2-imine?
The InChIKey is MLOIUQRYBFNQLZ-HKQFFIRXSA-N. The full InChI is InChI=1S/C16H21N/c1-7-11-12-16(13(5)8-2)15(9-3)14(6)17-10-4/h7-8,10-12H,1-2,4-5,9H2,3,6H3/b12-11-,16-15-,17-14+.
What are the key properties of (3Z,5Z)-4-buta-1,3-dien-2-yl-N-ethenyl-3-ethylocta-3,5,7-trien-2-imine?
(3Z,5Z)-4-buta-1,3-dien-2-yl-N-ethenyl-3-ethylocta-3,5,7-trien-2-imine has a molecular weight of 227.35 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-buta-1,3-dien-2-yl-N-ethenyl-3-ethylocta-3,5,7-trien-2-imine is sourced from PubChem (CID 134419880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).