ethane;(5Z)-3-N-ethenyl-4-ethyl-5-N-ethylidene-4-methylocta-1,5,7-triene-3,5-diimine

C17H28N2 — CID 144953908

IUPACethane;(5Z)-3-N-ethenyl-4-ethyl-5-N-ethylidene-4-methylocta-1,5,7-triene-3,5-diimine
SMILESC=C/C=C(\N=C\C)C(C)(CC)/C(C=C)=N/C=C.CC
InChIInChI=1S/C15H22N2.C2H6/c1-7-12-14(17-11-5)15(6,9-3)13(8-2)16-10-4;1-2/h7-8,10-12H,1-2,4,9H2,3,5-6H3;1-2H3/b14-12-,16-13+,17-11+;
InChIKeyKRKJWDQYPMGWJS-VORIVJMHSA-N
MW260.42 g/mol
LogP5.36
Rot. Bonds7

About ethane;(5Z)-3-N-ethenyl-4-ethyl-5-N-ethylidene-4-methylocta-1,5,7-triene-3,5-diimine

ethane;(5Z)-3-N-ethenyl-4-ethyl-5-N-ethylidene-4-methylocta-1,5,7-triene-3,5-diimine (PubChem CID 144953908) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is ethane;(5Z)-3-N-ethenyl-4-ethyl-5-N-ethylidene-4-methylocta-1,5,7-triene-3,5-diimine.

Molecular Properties

Compound Nameethane;(5Z)-3-N-ethenyl-4-ethyl-5-N-ethylidene-4-methylocta-1,5,7-triene-3,5-diimine
PubChem CID144953908
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Nameethane;(5Z)-3-N-ethenyl-4-ethyl-5-N-ethylidene-4-methylocta-1,5,7-triene-3,5-diimine
SMILESC=C/C=C(\N=C\C)C(C)(CC)/C(C=C)=N/C=C.CC
InChIInChI=1S/C15H22N2.C2H6/c1-7-12-14(17-11-5)15(6,9-3)13(8-2)16-10-4;1-2/h7-8,10-12H,1-2,4,9H2,3,5-6H3;1-2H3/b14-12-,16-13+,17-11+;
InChIKeyKRKJWDQYPMGWJS-VORIVJMHSA-N
XLogP5.36
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.36
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'}

Analyze ethane;(5Z)-3-N-ethenyl-4-ethyl-5-N-ethylidene-4-methylocta-1,5,7-triene-3,5-diimine with MolForge

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Related Compounds

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(Z)-N-ethenyl-2,2-dimethylhex-4-en-3-imine
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ethane;N-ethenylpent-1-en-3-imine
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butane;ethane;N-ethenylbut-3-en-2-imine
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[(Z)-4-ethyl-4-methylhex-2-en-3-yl]-prop-1-en-2-yldiazene
CID 134458950
N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine
CID 146259127
(1Z)-1-[(Z)-ethylideneamino]-N,N-dimethylbuta-1,3-dien-1-amine
CID 143834984
N-[(2Z,5E)-5-ethenyl-4,4-dimethylocta-2,5,7-trien-3-yl]methanimine
CID 155337310
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
(3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane
CID 156821319
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z)-3-N-ethenyl-4-ethyl-5-N-ethylidene-4-methylocta-1,5,7-triene-3,5-diimine?
The IUPAC name of ethane;(5Z)-3-N-ethenyl-4-ethyl-5-N-ethylidene-4-methylocta-1,5,7-triene-3,5-diimine (CID 144953908) is ethane;(5Z)-3-N-ethenyl-4-ethyl-5-N-ethylidene-4-methylocta-1,5,7-triene-3,5-diimine.
What is the SMILES notation for ethane;(5Z)-3-N-ethenyl-4-ethyl-5-N-ethylidene-4-methylocta-1,5,7-triene-3,5-diimine?
The canonical SMILES for ethane;(5Z)-3-N-ethenyl-4-ethyl-5-N-ethylidene-4-methylocta-1,5,7-triene-3,5-diimine is C=C/C=C(\N=C\C)C(C)(CC)/C(C=C)=N/C=C.CC.
What is the InChIKey of ethane;(5Z)-3-N-ethenyl-4-ethyl-5-N-ethylidene-4-methylocta-1,5,7-triene-3,5-diimine?
The InChIKey is KRKJWDQYPMGWJS-VORIVJMHSA-N. The full InChI is InChI=1S/C15H22N2.C2H6/c1-7-12-14(17-11-5)15(6,9-3)13(8-2)16-10-4;1-2/h7-8,10-12H,1-2,4,9H2,3,5-6H3;1-2H3/b14-12-,16-13+,17-11+;.
What are the key properties of ethane;(5Z)-3-N-ethenyl-4-ethyl-5-N-ethylidene-4-methylocta-1,5,7-triene-3,5-diimine?
ethane;(5Z)-3-N-ethenyl-4-ethyl-5-N-ethylidene-4-methylocta-1,5,7-triene-3,5-diimine has a molecular weight of 260.42 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z)-3-N-ethenyl-4-ethyl-5-N-ethylidene-4-methylocta-1,5,7-triene-3,5-diimine is sourced from PubChem (CID 144953908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).