1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine

C₁₁H₁₆N₂ — CID 123651522

About 1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine

1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine (PubChem CID 123651522) has the molecular formula C₁₁H₁₆N₂ and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine.

Molecular Properties

• Compound Name: 1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine
• PubChem CID: 123651522
• Molecular Formula: C₁₁H₁₆N₂
• Molecular Weight: 176.26 g/mol
• Exact Mass: 176.13
• IUPAC Name: 1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine
• SMILES: [H]/N=C(\C)CC1=NC(C)=CC/C1=C/C
• InChI: InChI=1S/C11H16N2/c1-4-10-6-5-9(3)13-11(10)7-8(2)12/h4-5,12H,6-7H2,1-3H3/b10-4-,12-8+
• InChIKey: SQKZOHXTNDDFIS-OZSAWRBNSA-N
• XLogP: 3.11
• TPSA: 36.21 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	176.26
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine?

The IUPAC name of 1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine (CID 123651522) is 1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine.

What is the SMILES notation for 1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine?

The canonical SMILES for 1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine is [H]/N=C(\C)CC1=NC(C)=CC/C1=C/C.

What is the InChIKey of 1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine?

The InChIKey is SQKZOHXTNDDFIS-OZSAWRBNSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-10-6-5-9(3)13-11(10)7-8(2)12/h4-5,12H,6-7H2,1-3H3/b10-4-,12-8+.

What are the key properties of 1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine?

1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine has a molecular weight of 176.26 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine is sourced from PubChem (CID 123651522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123651522 — identifiers, structure, computed properties (public domain)

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