N-prop-2-enoxycyclohexanamine

C₉H₁₇NO — CID 131227373

About N-prop-2-enoxycyclohexanamine

N-prop-2-enoxycyclohexanamine (PubChem CID 131227373) has the molecular formula C₉H₁₇NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-prop-2-enoxycyclohexanamine.

Molecular Properties

• Compound Name: N-prop-2-enoxycyclohexanamine
• PubChem CID: 131227373
• Molecular Formula: C₉H₁₇NO
• Molecular Weight: 155.24 g/mol
• Exact Mass: 155.13
• IUPAC Name: N-prop-2-enoxycyclohexanamine
• SMILES: C=CCONC1CCCCC1
• InChI: InChI=1S/C9H17NO/c1-2-8-11-10-9-6-4-3-5-7-9/h2,9-10H,1,3-8H2
• InChIKey: XLGSGEYCSZSFFK-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	155.24
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enoxycyclohexanamine?

The IUPAC name of N-prop-2-enoxycyclohexanamine (CID 131227373) is N-prop-2-enoxycyclohexanamine.

What is the SMILES notation for N-prop-2-enoxycyclohexanamine?

The canonical SMILES for N-prop-2-enoxycyclohexanamine is C=CCONC1CCCCC1.

What is the InChIKey of N-prop-2-enoxycyclohexanamine?

The InChIKey is XLGSGEYCSZSFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-8-11-10-9-6-4-3-5-7-9/h2,9-10H,1,3-8H2.

What are the key properties of N-prop-2-enoxycyclohexanamine?

N-prop-2-enoxycyclohexanamine has a molecular weight of 155.24 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-prop-2-enoxycyclohexanamine is sourced from PubChem (CID 131227373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 131227373 — identifiers, structure, computed properties (public domain)

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