3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine

C12H18N2 — CID 90685395

IUPAC3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine
SMILESC=CC(=C/N=C/C)/C(C=CCC)=N/C
InChIInChI=1S/C12H18N2/c1-5-8-9-12(13-4)11(6-2)10-14-7-3/h6-10H,2,5H2,1,3-4H3/b9-8?,11-10?,13-12+,14-7+
InChIKeyUETXNYNTYZPBHQ-JCNXANDNSA-N
MW190.29 g/mol
LogP3.18
Rot. Bonds5

About 3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine

3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine (PubChem CID 90685395) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine.

Molecular Properties

Compound Name3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine
PubChem CID90685395
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine
SMILESC=CC(=C/N=C/C)/C(C=CCC)=N/C
InChIInChI=1S/C12H18N2/c1-5-8-9-12(13-4)11(6-2)10-14-7-3/h6-10H,2,5H2,1,3-4H3/b9-8?,11-10?,13-12+,14-7+
InChIKeyUETXNYNTYZPBHQ-JCNXANDNSA-N
XLogP3.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
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

2H-1,4-Benzodiazepine
CID 21162934
(E)-N-[3-(ethenyliminomethyl)buta-1,3-dien-2-yl]-6,6,6-trifluoro-5-methylhex-4-en-3-imine
CID 123431326
1,5-Benzodiazocine
CID 23633143
(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744
(4Z)-4-ethylidene-N-methylpyridin-3-imine
CID 68179746
3-(2,3-dihydropyridin-5-yl)-2H-1,4-benzodiazepine
CID 69325564
(6Z)-6-[(2-methylpropylideneamino)methylidene]cyclohexa-2,4-dien-1-imine
CID 69924450
(4Z,6Z,9Z)-9-methyl-3,8-dihydroazecine
CID 70254319
(4Z)-2-methyl-N-[(Z)-prop-1-enyl]hexa-1,4-dien-3-imine
CID 88960570
6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine
CID 89028721
(1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine
CID 89088417
(2Z,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine
CID 89159404

Frequently Asked Questions

What is the IUPAC name of 3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine?
The IUPAC name of 3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine (CID 90685395) is 3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine.
What is the SMILES notation for 3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine?
The canonical SMILES for 3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine is C=CC(=C/N=C/C)/C(C=CCC)=N/C.
What is the InChIKey of 3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine?
The InChIKey is UETXNYNTYZPBHQ-JCNXANDNSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-8-9-12(13-4)11(6-2)10-14-7-3/h6-10H,2,5H2,1,3-4H3/b9-8?,11-10?,13-12+,14-7+.
What are the key properties of 3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine?
3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine has a molecular weight of 190.29 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine is sourced from PubChem (CID 90685395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).