1-cyclohexa-1,5-dien-1-yl-N-[(Z,2E)-2-ethylidenepent-3-enyl]methanimine;ethane

C18H31N — CID 142219475

IUPAC1-cyclohexa-1,5-dien-1-yl-N-[(Z,2E)-2-ethylidenepent-3-enyl]methanimine;ethane
SMILESC/C=C\C(=C/C)C/N=C/C1=CCCC=C1.CC.CC
InChIInChI=1S/C14H19N.2C2H6/c1-3-8-13(4-2)11-15-12-14-9-6-5-7-10-14;2*1-2/h3-4,6,8-10,12H,5,7,11H2,1-2H3;2*1-2H3/b8-3-,13-4+,15-12+;;
InChIKeyAQYORIRSIZOHOA-ICAYUUNXSA-N
MW261.45 g/mol
LogP5.91
Rot. Bonds4

About 1-cyclohexa-1,5-dien-1-yl-N-[(Z,2E)-2-ethylidenepent-3-enyl]methanimine;ethane

1-cyclohexa-1,5-dien-1-yl-N-[(Z,2E)-2-ethylidenepent-3-enyl]methanimine;ethane (PubChem CID 142219475) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-N-[(Z,2E)-2-ethylidenepent-3-enyl]methanimine;ethane.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-N-[(Z,2E)-2-ethylidenepent-3-enyl]methanimine;ethane
PubChem CID142219475
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name1-cyclohexa-1,5-dien-1-yl-N-[(Z,2E)-2-ethylidenepent-3-enyl]methanimine;ethane
SMILESC/C=C\C(=C/C)C/N=C/C1=CCCC=C1.CC.CC
InChIInChI=1S/C14H19N.2C2H6/c1-3-8-13(4-2)11-15-12-14-9-6-5-7-10-14;2*1-2/h3-4,6,8-10,12H,5,7,11H2,1-2H3;2*1-2H3/b8-3-,13-4+,15-12+;;
InChIKeyAQYORIRSIZOHOA-ICAYUUNXSA-N
XLogP5.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.91
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 1-cyclohexa-1,5-dien-1-yl-N-[(Z,2E)-2-ethylidenepent-3-enyl]methanimine;ethane with MolForge

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Related Compounds

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CID 129791915
(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine
CID 126516076
N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine
CID 174262416
2-methyl-2-pentenal N-allylimine
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N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
lithium N-tert-butyl-1-[3-(tert-butyliminomethyl)benzene-2-id-1-yl]methanimine
CID 138967381
CID 164673418
CID 164673418
2H-Indeno(4,5-h)isoquinoline
CID 6452601
(2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine
CID 143621189
2H-3-benzazepine
CID 23177331
3H-Cyclopenta[C]pyridine
CID 56972381
1-phenyl-N-propylmethanimine;yttrium
CID 58003847

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-N-[(Z,2E)-2-ethylidenepent-3-enyl]methanimine;ethane?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-N-[(Z,2E)-2-ethylidenepent-3-enyl]methanimine;ethane (CID 142219475) is 1-cyclohexa-1,5-dien-1-yl-N-[(Z,2E)-2-ethylidenepent-3-enyl]methanimine;ethane.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-N-[(Z,2E)-2-ethylidenepent-3-enyl]methanimine;ethane?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-N-[(Z,2E)-2-ethylidenepent-3-enyl]methanimine;ethane is C/C=C\C(=C/C)C/N=C/C1=CCCC=C1.CC.CC.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-N-[(Z,2E)-2-ethylidenepent-3-enyl]methanimine;ethane?
The InChIKey is AQYORIRSIZOHOA-ICAYUUNXSA-N. The full InChI is InChI=1S/C14H19N.2C2H6/c1-3-8-13(4-2)11-15-12-14-9-6-5-7-10-14;2*1-2/h3-4,6,8-10,12H,5,7,11H2,1-2H3;2*1-2H3/b8-3-,13-4+,15-12+;;.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-N-[(Z,2E)-2-ethylidenepent-3-enyl]methanimine;ethane?
1-cyclohexa-1,5-dien-1-yl-N-[(Z,2E)-2-ethylidenepent-3-enyl]methanimine;ethane has a molecular weight of 261.45 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-N-[(Z,2E)-2-ethylidenepent-3-enyl]methanimine;ethane is sourced from PubChem (CID 142219475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).