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

C19H37N — CID 142143344

IUPACethane;(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.CC.CC.CC
InChIInChI=1S/C13H19N.3C2H6/c1-5-8-10-12(7-3)13(9-6-2)11-14-4;3*1-2/h6-11H,2,5H2,1,3-4H3;3*1-2H3/b10-8+,12-7-,13-9-,14-11+;;;
InChIKeySZJWPWGIPGOWBS-HXOUDOTLSA-N
MW279.51 g/mol
LogP6.79
Rot. Bonds5

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

ethane;(E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine (PubChem CID 142143344) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is ethane;(E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine.

Molecular Properties

Compound Nameethane;(E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine
PubChem CID142143344
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Nameethane;(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.CC.CC.CC
InChIInChI=1S/C13H19N.3C2H6/c1-5-8-10-12(7-3)13(9-6-2)11-14-4;3*1-2/h6-11H,2,5H2,1,3-4H3;3*1-2H3/b10-8+,12-7-,13-9-,14-11+;;;
InChIKeySZJWPWGIPGOWBS-HXOUDOTLSA-N
XLogP6.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 56.79
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 ethane;(E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine with MolForge

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Related Compounds

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
(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
(5Z,7E,9E)-9-(1-fluoroethyl)-4-methyl-6-(methyliminomethyl)dodeca-3,5,7,9-tetraenenitrile
CID 155442333
(E,2Z)-2-ethylidene-N-[(Z)-1-fluoro-2-methylbut-1-enyl]-3-methylhept-3-en-1-imine
CID 173807900
N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine
CID 174262416
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
lithium N-tert-butyl-1-[3-(tert-butyliminomethyl)benzene-2-id-1-yl]methanimine
CID 138967381
Squalene N-methylimine
CID 6450082
(2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine
CID 143621189
(2Z,6Z)-2-fluoro-N,3-dimethyl-4,5-dimethylideneocta-2,6-dien-1-imine
CID 144036268
(2Z,6E)-2,7-ditert-butyl-N-[(2E,3E)-2-ethylidene-4-fluoro-3-methylhexa-3,5-dienyl]nona-2,6,8-trien-1-imine
CID 176556879
1-phenyl-N-propylmethanimine;yttrium
CID 58003847

Frequently Asked Questions

What is the IUPAC name of ethane;(E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine?
The IUPAC name of ethane;(E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine (CID 142143344) is ethane;(E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine.
What is the SMILES notation for ethane;(E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine?
The canonical SMILES for ethane;(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.CC.CC.CC.
What is the InChIKey of ethane;(E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine?
The InChIKey is SZJWPWGIPGOWBS-HXOUDOTLSA-N. The full InChI is InChI=1S/C13H19N.3C2H6/c1-5-8-10-12(7-3)13(9-6-2)11-14-4;3*1-2/h6-11H,2,5H2,1,3-4H3;3*1-2H3/b10-8+,12-7-,13-9-,14-11+;;;.
What are the key properties of ethane;(E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine?
ethane;(E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine has a molecular weight of 279.51 g/mol, XLogP of 6.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E,2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenehept-4-en-1-imine is sourced from PubChem (CID 142143344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).