ethane;(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienimidamide

C11H20N2 — CID 142070553

IUPACethane;(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienimidamide
SMILESCC.[H]/N=C(N)/C(/C=C\C=C/C)=C/C
InChIInChI=1S/C9H14N2.C2H6/c1-3-5-6-7-8(4-2)9(10)11;1-2/h3-7H,1-2H3,(H3,10,11);1-2H3/b5-3-,7-6-,8-4+;
InChIKeyZZURNNRICLADRC-ZGHSNMEGSA-N
MW180.29 g/mol
LogP3.03
Rot. Bonds3

About ethane;(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienimidamide

ethane;(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienimidamide (PubChem CID 142070553) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienimidamide.

Molecular Properties

Compound Nameethane;(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienimidamide
PubChem CID142070553
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Nameethane;(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienimidamide
SMILESCC.[H]/N=C(N)/C(/C=C\C=C/C)=C/C
InChIInChI=1S/C9H14N2.C2H6/c1-3-5-6-7-8(4-2)9(10)11;1-2/h3-7H,1-2H3,(H3,10,11);1-2H3/b5-3-,7-6-,8-4+;
InChIKeyZZURNNRICLADRC-ZGHSNMEGSA-N
XLogP3.03
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Cyclohexa-1,5-diene-1-carboximidamide
CID 17881718
Cyclopentadienylamidine
CID 59145620
(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide
CID 91021348
(2Z)-2-ethylidene-3-fluoropent-3-enimidamide
CID 123530189
(2Z)-3-(5-fluoro-2-methylcyclohepta-1,4,6-trien-1-yl)-4-methyl-2-prop-1-enylpenta-2,4-dienimidamide
CID 123653519
(2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide
CID 142166721
(2Z,4Z)-2-ethyl-3-(trifluoromethyl)hepta-2,4,6-trienimidamide
CID 144091394
(2Z,3Z,5E)-2-(2-fluoropropylidene)-N'-methylhepta-3,5-dienimidamide
CID 173891222
4-Methylidenecyclohexa-1,5-diene-1-carboximidamide
CID 17905983
2-Methylidenepent-3-enimidamide
CID 57266179
Benzenecarboximidamide;tungsten
CID 58182739
(Z)-4-methyl-2-propan-2-ylpent-2-enimidamide
CID 88783504

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienimidamide?
The IUPAC name of ethane;(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienimidamide (CID 142070553) is ethane;(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienimidamide.
What is the SMILES notation for ethane;(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienimidamide?
The canonical SMILES for ethane;(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienimidamide is CC.[H]/N=C(N)/C(/C=C\C=C/C)=C/C.
What is the InChIKey of ethane;(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienimidamide?
The InChIKey is ZZURNNRICLADRC-ZGHSNMEGSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-3-5-6-7-8(4-2)9(10)11;1-2/h3-7H,1-2H3,(H3,10,11);1-2H3/b5-3-,7-6-,8-4+;.
What are the key properties of ethane;(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienimidamide?
ethane;(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienimidamide has a molecular weight of 180.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienimidamide is sourced from PubChem (CID 142070553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).