3-Cyclopropylprop-2-en-1-amine

C₆H₁₁N — CID 63970491

About 3-Cyclopropylprop-2-en-1-amine

3-Cyclopropylprop-2-en-1-amine (PubChem CID 63970491) has the molecular formula C₆H₁₁N and a molecular weight of 97.16 g/mol. Its IUPAC name is (E)-3-cyclopropylprop-2-en-1-amine.

Molecular Properties

• Compound Name: 3-Cyclopropylprop-2-en-1-amine
• PubChem CID: 63970491
• Molecular Formula: C₆H₁₁N
• Molecular Weight: 97.16 g/mol
• Exact Mass: 97.09
• IUPAC Name: (E)-3-cyclopropylprop-2-en-1-amine
• SMILES: NC/C=C/C1CC1
• InChI: InChI=1S/C6H11N/c7-5-1-2-6-3-4-6/h1-2,6H,3-5,7H2/b2-1+
• InChIKey: FGNSIKJDDXLWCL-OWOJBTEDSA-N
• XLogP: 0.91
• TPSA: 26.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	97.16
LogP ≤ 5	0.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-Cyclopropylprop-2-en-1-amine?

The IUPAC name of 3-Cyclopropylprop-2-en-1-amine (CID 63970491) is (E)-3-cyclopropylprop-2-en-1-amine.

What is the SMILES notation for 3-Cyclopropylprop-2-en-1-amine?

The canonical SMILES for 3-Cyclopropylprop-2-en-1-amine is NC/C=C/C1CC1.

What is the InChIKey of 3-Cyclopropylprop-2-en-1-amine?

The InChIKey is FGNSIKJDDXLWCL-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H11N/c7-5-1-2-6-3-4-6/h1-2,6H,3-5,7H2/b2-1+.

What are the key properties of 3-Cyclopropylprop-2-en-1-amine?

3-Cyclopropylprop-2-en-1-amine has a molecular weight of 97.16 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-Cyclopropylprop-2-en-1-amine is sourced from PubChem (CID 63970491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63970491 — identifiers, structure, computed properties (public domain)

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