Ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide

C₁₀H₂₃N₃ — CID 153331511

About Ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide

Ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide (PubChem CID 153331511) has the molecular formula C₁₀H₂₃N₃ and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide.

Molecular Properties

• Compound Name: Ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide
• PubChem CID: 153331511
• Molecular Formula: C₁₀H₂₃N₃
• Molecular Weight: 185.31 g/mol
• Exact Mass: 185.19
• IUPAC Name: ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide
• SMILES: C=C(C)/N=C(N)/C=N/C.CC.CC
• InChI: InChI=1S/C6H11N3.2C2H6/c1-5(2)9-6(7)4-8-3;2*1-2/h4H,1H2,2-3H3,(H2,7,9);2*1-2H3/b8-4+
• InChIKey: KULJXCMVAHPAEQ-ZDTICIBISA-N
• XLogP: 2.63
• TPSA: 50.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	185.31
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide?

The IUPAC name of Ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide (CID 153331511) is ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide.

What is the SMILES notation for Ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide?

The canonical SMILES for Ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide is C=C(C)/N=C(N)/C=N/C.CC.CC.

What is the InChIKey of Ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide?

The InChIKey is KULJXCMVAHPAEQ-ZDTICIBISA-N. The full InChI is InChI=1S/C6H11N3.2C2H6/c1-5(2)9-6(7)4-8-3;2*1-2/h4H,1H2,2-3H3,(H2,7,9);2*1-2H3/b8-4+;;.

What are the key properties of Ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide?

Ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide has a molecular weight of 185.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 153331511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153331511 — identifiers, structure, computed properties (public domain)

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