ethane;(2Z)-3-ethylpenta-2,4-dienimidamide

C9H18N2 — CID 142489749

IUPACethane;(2Z)-3-ethylpenta-2,4-dienimidamide
SMILESCC.[H]/N=C(N)/C=C(\C=C)CC
InChIInChI=1S/C7H12N2.C2H6/c1-3-6(4-2)5-7(8)9;1-2/h3,5H,1,4H2,2H3,(H3,8,9);1-2H3/b6-5+;
InChIKeySLAGCIORMVNPGD-IPZCTEOASA-N
MW154.26 g/mol
LogP2.47
Rot. Bonds3

About ethane;(2Z)-3-ethylpenta-2,4-dienimidamide

ethane;(2Z)-3-ethylpenta-2,4-dienimidamide (PubChem CID 142489749) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;(2Z)-3-ethylpenta-2,4-dienimidamide.

Molecular Properties

Compound Nameethane;(2Z)-3-ethylpenta-2,4-dienimidamide
PubChem CID142489749
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;(2Z)-3-ethylpenta-2,4-dienimidamide
SMILESCC.[H]/N=C(N)/C=C(\C=C)CC
InChIInChI=1S/C7H12N2.C2H6/c1-3-6(4-2)5-7(8)9;1-2/h3,5H,1,4H2,2H3,(H3,8,9);1-2H3/b6-5+;
InChIKeySLAGCIORMVNPGD-IPZCTEOASA-N
XLogP2.47
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.47
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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Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-3-ethylpenta-2,4-dienimidamide?
The IUPAC name of ethane;(2Z)-3-ethylpenta-2,4-dienimidamide (CID 142489749) is ethane;(2Z)-3-ethylpenta-2,4-dienimidamide.
What is the SMILES notation for ethane;(2Z)-3-ethylpenta-2,4-dienimidamide?
The canonical SMILES for ethane;(2Z)-3-ethylpenta-2,4-dienimidamide is CC.[H]/N=C(N)/C=C(\C=C)CC.
What is the InChIKey of ethane;(2Z)-3-ethylpenta-2,4-dienimidamide?
The InChIKey is SLAGCIORMVNPGD-IPZCTEOASA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-3-6(4-2)5-7(8)9;1-2/h3,5H,1,4H2,2H3,(H3,8,9);1-2H3/b6-5+;.
What are the key properties of ethane;(2Z)-3-ethylpenta-2,4-dienimidamide?
ethane;(2Z)-3-ethylpenta-2,4-dienimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-3-ethylpenta-2,4-dienimidamide is sourced from PubChem (CID 142489749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).