(E)-5-(methylamino)hept-2-en-4-ol

C₈H₁₇NO — CID 55286024

About (E)-5-(methylamino)hept-2-en-4-ol

(E)-5-(methylamino)hept-2-en-4-ol (PubChem CID 55286024) has the molecular formula C₈H₁₇NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (E)-5-(methylamino)hept-2-en-4-ol.

Molecular Properties

• Compound Name: (E)-5-(methylamino)hept-2-en-4-ol
• PubChem CID: 55286024
• Molecular Formula: C₈H₁₇NO
• Molecular Weight: 143.23 g/mol
• Exact Mass: 143.13
• IUPAC Name: (E)-5-(methylamino)hept-2-en-4-ol
• SMILES: C/C=C/C(O)C(CC)NC
• InChI: InChI=1S/C8H17NO/c1-4-6-8(10)7(5-2)9-3/h4,6-10H,5H2,1-3H3/b6-4+
• InChIKey: SNRUAPOQADGVIZ-GQCTYLIASA-N
• XLogP: 0.92
• TPSA: 32.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	143.23
LogP ≤ 5	0.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-5-(methylamino)hept-2-en-4-ol?

The IUPAC name of (E)-5-(methylamino)hept-2-en-4-ol (CID 55286024) is (E)-5-(methylamino)hept-2-en-4-ol.

What is the SMILES notation for (E)-5-(methylamino)hept-2-en-4-ol?

The canonical SMILES for (E)-5-(methylamino)hept-2-en-4-ol is C/C=C/C(O)C(CC)NC.

What is the InChIKey of (E)-5-(methylamino)hept-2-en-4-ol?

The InChIKey is SNRUAPOQADGVIZ-GQCTYLIASA-N. The full InChI is InChI=1S/C8H17NO/c1-4-6-8(10)7(5-2)9-3/h4,6-10H,5H2,1-3H3/b6-4+.

What are the key properties of (E)-5-(methylamino)hept-2-en-4-ol?

(E)-5-(methylamino)hept-2-en-4-ol has a molecular weight of 143.23 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-5-(methylamino)hept-2-en-4-ol is sourced from PubChem (CID 55286024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 55286024 — identifiers, structure, computed properties (public domain)

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