(4E,7Z)-5-methyl-8-N,6-dimethylideneocta-4,7-diene-3,8-diimine

C11H16N2 — CID 90943080

IUPAC(4E,7Z)-5-methyl-8-N,6-dimethylideneocta-4,7-diene-3,8-diimine
SMILES[H]/N=C(/C=C(\C)C(=C)/C=C\N=C)CC
InChIInChI=1S/C11H16N2/c1-5-11(12)8-10(3)9(2)6-7-13-4/h6-8,12H,2,4-5H2,1,3H3/b7-6-,10-8+,12-11+
InChIKeyLVXXWDGJRZOPIU-YKMBNXPCSA-N
MW176.26 g/mol
LogP3.13
Rot. Bonds5

About (4E,7Z)-5-methyl-8-N,6-dimethylideneocta-4,7-diene-3,8-diimine

(4E,7Z)-5-methyl-8-N,6-dimethylideneocta-4,7-diene-3,8-diimine (PubChem CID 90943080) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (4E,7Z)-5-methyl-8-N,6-dimethylideneocta-4,7-diene-3,8-diimine.

Molecular Properties

Compound Name(4E,7Z)-5-methyl-8-N,6-dimethylideneocta-4,7-diene-3,8-diimine
PubChem CID90943080
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(4E,7Z)-5-methyl-8-N,6-dimethylideneocta-4,7-diene-3,8-diimine
SMILES[H]/N=C(/C=C(\C)C(=C)/C=C\N=C)CC
InChIInChI=1S/C11H16N2/c1-5-11(12)8-10(3)9(2)6-7-13-4/h6-8,12H,2,4-5H2,1,3H3/b7-6-,10-8+,12-11+
InChIKeyLVXXWDGJRZOPIU-YKMBNXPCSA-N
XLogP3.13
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.13
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

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CID 90725446
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CID 130336733
(E)-1-[[(3E,5E)-3-ethenyl-6-(trifluoromethyl)nona-3,5-dien-2-ylidene]amino]prop-1-en-2-amine
CID 156184677
(2E)-2-[(1Z)-1-(ethylideneamino)buta-1,3-dienyl]-3-(fluoromethyl)hexa-2,5-dienimidoyl fluoride
CID 167120260
(1Z,4E)-1-(ethylideneamino)-5-[[(Z)-6-fluoro-5-methylidenehept-3-en-2-ylidene]amino]-4-methyl-3-methylidenepenta-1,4-dien-1-amine
CID 173816436
2,5-dimethyl-3H-azepine
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(Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine
CID 145143636
2,3-dimethyl-4-[2-(1-methyl-3H-pyrrol-1-ium-2-yl)ethenyl]cyclopenta-1,3-dien-1-amine
CID 59977918
(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744
(4Z)-4-ethylidene-N-methylpyridin-3-imine
CID 68179746
(6Z)-6-[(2-methylpropylideneamino)methylidene]cyclohexa-2,4-dien-1-imine
CID 69924450

Frequently Asked Questions

What is the IUPAC name of (4E,7Z)-5-methyl-8-N,6-dimethylideneocta-4,7-diene-3,8-diimine?
The IUPAC name of (4E,7Z)-5-methyl-8-N,6-dimethylideneocta-4,7-diene-3,8-diimine (CID 90943080) is (4E,7Z)-5-methyl-8-N,6-dimethylideneocta-4,7-diene-3,8-diimine.
What is the SMILES notation for (4E,7Z)-5-methyl-8-N,6-dimethylideneocta-4,7-diene-3,8-diimine?
The canonical SMILES for (4E,7Z)-5-methyl-8-N,6-dimethylideneocta-4,7-diene-3,8-diimine is [H]/N=C(/C=C(\C)C(=C)/C=C\N=C)CC.
What is the InChIKey of (4E,7Z)-5-methyl-8-N,6-dimethylideneocta-4,7-diene-3,8-diimine?
The InChIKey is LVXXWDGJRZOPIU-YKMBNXPCSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-11(12)8-10(3)9(2)6-7-13-4/h6-8,12H,2,4-5H2,1,3H3/b7-6-,10-8+,12-11+.
What are the key properties of (4E,7Z)-5-methyl-8-N,6-dimethylideneocta-4,7-diene-3,8-diimine?
(4E,7Z)-5-methyl-8-N,6-dimethylideneocta-4,7-diene-3,8-diimine has a molecular weight of 176.26 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,7Z)-5-methyl-8-N,6-dimethylideneocta-4,7-diene-3,8-diimine is sourced from PubChem (CID 90943080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).