(2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine;methanimine

C12H20N2 — CID 145498143

IUPAC(2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine;methanimine
SMILESC=C(/C=C/C)C(C=CC)=NCC.[H]N=C
InChIInChI=1S/C11H17N.CH3N/c1-5-8-10(4)11(9-6-2)12-7-3;1-2/h5-6,8-9H,4,7H2,1-3H3;2H,1H2/b8-5+,9-6-,12-11+;
InChIKeyJQLQMCSBGZGQTK-BFYCTYLBSA-N
MW192.31 g/mol
LogP3.42
Rot. Bonds4

About (2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine;methanimine

(2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine;methanimine (PubChem CID 145498143) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine;methanimine.

Molecular Properties

Compound Name(2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine;methanimine
PubChem CID145498143
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine;methanimine
SMILESC=C(/C=C/C)C(C=CC)=NCC.[H]N=C
InChIInChI=1S/C11H17N.CH3N/c1-5-8-10(4)11(9-6-2)12-7-3;1-2/h5-6,8-9H,4,7H2,1-3H3;2H,1H2/b8-5+,9-6-,12-11+;
InChIKeyJQLQMCSBGZGQTK-BFYCTYLBSA-N
XLogP3.42
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4Z,8Z)-11,11-difluoro-N-(2-iminopropyl)-3,6,7,10-tetramethylidenedodeca-4,8-dien-2-imine
CID 123445499
(4E,6E)-8-N-butyl-7-(trifluoromethyl)deca-4,6,9-triene-2,8-diimine
CID 123558880
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
CID 163590444
(5E)-4-(C,N-dimethylcarbonimidoyl)-6-fluoro-2-methylocta-1,3,5,7-tetraen-3-amine
CID 173707405
(E,2Z,3E)-5-(1,1-difluoroethyl)-2,3-di(ethylidene)-1-N-methylhept-4-ene-1,6-diimine
CID 143763245
4-Methanimidoylcyclohexa-2,4-dien-1-imine
CID 22338342
3(2H)-Quinolinimine
CID 53424822
1-N,2-N,4-trimethylcyclohexa-3,5-diene-1,2-diimine
CID 53921814
1-[(6-Methylidenecyclohexa-2,4-dien-1-ylidene)amino]ethanamine
CID 68342709
(6Z)-6-[(2-methylpropylideneamino)methylidene]cyclohexa-2,4-dien-1-imine
CID 69924450
(6Z)-6-(2-iminoethylidene)cyclohexa-2,4-dien-1-imine
CID 88409253
(3Z)-3-ethenyl-N,6-dimethyl-5-methylidenehepta-3,6-dien-2-imine
CID 89033543

Frequently Asked Questions

What is the IUPAC name of (2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine;methanimine?
The IUPAC name of (2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine;methanimine (CID 145498143) is (2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine;methanimine.
What is the SMILES notation for (2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine;methanimine?
The canonical SMILES for (2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine;methanimine is C=C(/C=C/C)C(C=CC)=NCC.[H]N=C.
What is the InChIKey of (2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine;methanimine?
The InChIKey is JQLQMCSBGZGQTK-BFYCTYLBSA-N. The full InChI is InChI=1S/C11H17N.CH3N/c1-5-8-10(4)11(9-6-2)12-7-3;1-2/h5-6,8-9H,4,7H2,1-3H3;2H,1H2/b8-5+,9-6-,12-11+;.
What are the key properties of (2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine;methanimine?
(2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine;methanimine has a molecular weight of 192.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E)-N-ethyl-5-methylideneocta-2,6-dien-4-imine;methanimine is sourced from PubChem (CID 145498143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).