(E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine

C₁₉H₃₂N₄O — CID 177179675

About (E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine

(E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine (PubChem CID 177179675) has the molecular formula C₁₉H₃₂N₄O and a molecular weight of 332.49 g/mol. Its IUPAC name is (E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine.

Molecular Properties

• Compound Name: (E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine
• PubChem CID: 177179675
• Molecular Formula: C₁₉H₃₂N₄O
• Molecular Weight: 332.49 g/mol
• Exact Mass: 332.26
• IUPAC Name: (E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine
• SMILES: C/N=C/C(=C\N)COC(C)C.CC(C)N1CCc2cccnc2C1
• InChI: InChI=1S/C11H16N2.C8H16N2O/c1-9(2)13-7-5-10-4-3-6-12-11(10)8-13;1-7(2)11-6-8(4-9)5-10-3/h3-4,6,9H,5,7-8H2,1-2H3;4-5,7H,6,9H2,1-3H3/b;8-4+,10-5+
• InChIKey: DAFCBHZPPBVIBO-JETQYFIBSA-N
• XLogP: 2.80
• TPSA: 63.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.49
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine?

The IUPAC name of (E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine (CID 177179675) is (E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine.

What is the SMILES notation for (E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine?

The canonical SMILES for (E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine is C/N=C/C(=C\N)COC(C)C.CC(C)N1CCc2cccnc2C1.

What is the InChIKey of (E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine?

The InChIKey is DAFCBHZPPBVIBO-JETQYFIBSA-N. The full InChI is InChI=1S/C11H16N2.C8H16N2O/c1-9(2)13-7-5-10-4-3-6-12-11(10)8-13;1-7(2)11-6-8(4-9)5-10-3/h3-4,6,9H,5,7-8H2,1-2H3;4-5,7H,6,9H2,1-3H3/b;8-4+,10-5+.

What are the key properties of (E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine?

(E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine has a molecular weight of 332.49 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine is sourced from PubChem (CID 177179675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177179675 — identifiers, structure, computed properties (public domain)

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