ethane;(3Z)-2-iminohexa-3,5-dienimidamide

C8H15N3 — CID 145093635

IUPACethane;(3Z)-2-iminohexa-3,5-dienimidamide
SMILESCC.[H]/N=C(N)/C(/C=C\C=C)=N/[H]
InChIInChI=1S/C6H9N3.C2H6/c1-2-3-4-5(7)6(8)9;1-2/h2-4,7H,1H2,(H3,8,9);1-2H3/b4-3-,7-5+;
InChIKeyZXQJWIPQFOAIJB-LMMDHOJISA-N
MW153.23 g/mol
LogP1.71
Rot. Bonds3

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

ethane;(3Z)-2-iminohexa-3,5-dienimidamide (PubChem CID 145093635) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is ethane;(3Z)-2-iminohexa-3,5-dienimidamide.

Molecular Properties

Compound Nameethane;(3Z)-2-iminohexa-3,5-dienimidamide
PubChem CID145093635
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Nameethane;(3Z)-2-iminohexa-3,5-dienimidamide
SMILESCC.[H]/N=C(N)/C(/C=C\C=C)=N/[H]
InChIInChI=1S/C6H9N3.C2H6/c1-2-3-4-5(7)6(8)9;1-2/h2-4,7H,1H2,(H3,8,9);1-2H3/b4-3-,7-5+;
InChIKeyZXQJWIPQFOAIJB-LMMDHOJISA-N
XLogP1.71
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-2-iminohexa-3,5-dienimidamide?
The IUPAC name of ethane;(3Z)-2-iminohexa-3,5-dienimidamide (CID 145093635) is ethane;(3Z)-2-iminohexa-3,5-dienimidamide.
What is the SMILES notation for ethane;(3Z)-2-iminohexa-3,5-dienimidamide?
The canonical SMILES for ethane;(3Z)-2-iminohexa-3,5-dienimidamide is CC.[H]/N=C(N)/C(/C=C\C=C)=N/[H].
What is the InChIKey of ethane;(3Z)-2-iminohexa-3,5-dienimidamide?
The InChIKey is ZXQJWIPQFOAIJB-LMMDHOJISA-N. The full InChI is InChI=1S/C6H9N3.C2H6/c1-2-3-4-5(7)6(8)9;1-2/h2-4,7H,1H2,(H3,8,9);1-2H3/b4-3-,7-5+;.
What are the key properties of ethane;(3Z)-2-iminohexa-3,5-dienimidamide?
ethane;(3Z)-2-iminohexa-3,5-dienimidamide has a molecular weight of 153.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-2-iminohexa-3,5-dienimidamide is sourced from PubChem (CID 145093635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).