Ethane;N-prop-1-en-2-ylmethanimine

C₆H₁₃N — CID 143922364

About Ethane;N-prop-1-en-2-ylmethanimine

Ethane;N-prop-1-en-2-ylmethanimine (PubChem CID 143922364) has the molecular formula C₆H₁₃N and a molecular weight of 99.18 g/mol. Its IUPAC name is ethane;N-prop-1-en-2-ylmethanimine.

Molecular Properties

• Compound Name: Ethane;N-prop-1-en-2-ylmethanimine
• PubChem CID: 143922364
• Molecular Formula: C₆H₁₃N
• Molecular Weight: 99.18 g/mol
• Exact Mass: 99.10
• IUPAC Name: ethane;N-prop-1-en-2-ylmethanimine
• SMILES: C=NC(=C)C.CC
• InChI: InChI=1S/C4H7N.C2H6/c1-4(2)5-3;1-2/h1,3H2,2H3;1-2H3
• InChIKey: VXMCJDXSLKCMLN-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	99.18
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethane;N-prop-1-en-2-ylmethanimine?

The IUPAC name of Ethane;N-prop-1-en-2-ylmethanimine (CID 143922364) is ethane;N-prop-1-en-2-ylmethanimine.

What is the SMILES notation for Ethane;N-prop-1-en-2-ylmethanimine?

The canonical SMILES for Ethane;N-prop-1-en-2-ylmethanimine is C=NC(=C)C.CC.

What is the InChIKey of Ethane;N-prop-1-en-2-ylmethanimine?

The InChIKey is VXMCJDXSLKCMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.C2H6/c1-4(2)5-3;1-2/h1,3H2,2H3;1-2H3.

What are the key properties of Ethane;N-prop-1-en-2-ylmethanimine?

Ethane;N-prop-1-en-2-ylmethanimine has a molecular weight of 99.18 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;N-prop-1-en-2-ylmethanimine is sourced from PubChem (CID 143922364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143922364 — identifiers, structure, computed properties (public domain)

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