(E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine

C13H19N — CID 142143345

IUPAC(E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine
SMILESC=C/C=C(/C=N/C)C(=C/C)\C=C\CC
InChIInChI=1S/C13H19N/c1-5-8-10-12(7-3)13(9-6-2)11-14-4/h6-11H,2,5H2,1,3-4H3/b10-8+,12-7-,13-9-,14-11+
InChIKeyUDPYHPPUPZAQQG-QSEMLNTASA-N
MW189.30 g/mol
LogP3.71
Rot. Bonds5

About (E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine

(E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine (PubChem CID 142143345) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine.

Molecular Properties

Compound Name(E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine
PubChem CID142143345
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine
SMILESC=C/C=C(/C=N/C)C(=C/C)\C=C\CC
InChIInChI=1S/C13H19N/c1-5-8-10-12(7-3)13(9-6-2)11-14-4/h6-11H,2,5H2,1,3-4H3/b10-8+,12-7-,13-9-,14-11+
InChIKeyUDPYHPPUPZAQQG-QSEMLNTASA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.71
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'}

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Related Compounds

(3Z,5Z,6Z)-4-[(Z)-prop-1-enyl]-5-propylidenenona-1,3,6-triene
CID 142312550
(3Z,6Z)-4-ethenyl-5-methylidenenona-1,3,6-triene
CID 142571328
(2Z,3E)-2-ethylidene-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;1-methyl-4-[(Z)-pent-2-en-2-yl]benzene
CID 142085794
(3Z)-4-methylocta-1,3,5-triene
CID 142968936
2-[(Z)-but-1-enyl]-N-methylhexa-2,3,5-trien-1-imine;ethane
CID 143104199
ethane;(Z,2E)-2-prop-2-enylidenehex-3-enimidamide
CID 142843946
(2E)-2-(methyliminomethyl)penta-2,4-dienamide
CID 143715674
(3E,5E)-4-ethenylocta-1,3,5-triene
CID 142003848
ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene
CID 143078245
(4E,5Z)-4-ethylidene-2,3-dimethylocta-2,5-diene
CID 142428664
4-ethenyl-5-ethylideneocta-1,3,6-triene
CID 123583886
3-ethylidenehept-4-en-2-one
CID 123873548

Frequently Asked Questions

What is the IUPAC name of (E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine?
The IUPAC name of (E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine (CID 142143345) is (E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine.
What is the SMILES notation for (E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine?
The canonical SMILES for (E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine is C=C/C=C(/C=N/C)C(=C/C)\C=C\CC.
What is the InChIKey of (E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine?
The InChIKey is UDPYHPPUPZAQQG-QSEMLNTASA-N. The full InChI is InChI=1S/C13H19N/c1-5-8-10-12(7-3)13(9-6-2)11-14-4/h6-11H,2,5H2,1,3-4H3/b10-8+,12-7-,13-9-,14-11+.
What are the key properties of (E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine?
(E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine has a molecular weight of 189.30 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine is sourced from PubChem (CID 142143345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).