2-iminopentanimidamide

C5H11N3 — CID 90797983

About 2-iminopentanimidamide

2-iminopentanimidamide (PubChem CID 90797983) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-iminopentanimidamide.

Molecular Properties

• Compound Name: 2-iminopentanimidamide
• PubChem CID: 90797983
• Molecular Formula: C5H11N3
• Molecular Weight: 113.16 g/mol
• Exact Mass: 113.10
• IUPAC Name: 2-iminopentanimidamide
• SMILES: [H]/N=C(N)/C(CCC)=N/[H]
• InChI: InChI=1S/C5H11N3/c1-2-3-4(6)5(7)8/h6H,2-3H2,1H3,(H3,7,8)/b6-4+
• InChIKey: CAFYIXVGLZEEOC-GQCTYLIASA-N
• XLogP: 0.74
• TPSA: 73.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	113.16
LogP ≤ 5	0.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-iminopentanimidamide?

The IUPAC name of 2-iminopentanimidamide (CID 90797983) is 2-iminopentanimidamide.

What is the SMILES notation for 2-iminopentanimidamide?

The canonical SMILES for 2-iminopentanimidamide is [H]/N=C(N)/C(CCC)=N/[H].

What is the InChIKey of 2-iminopentanimidamide?

The InChIKey is CAFYIXVGLZEEOC-GQCTYLIASA-N. The full InChI is InChI=1S/C5H11N3/c1-2-3-4(6)5(7)8/h6H,2-3H2,1H3,(H3,7,8)/b6-4+.

What are the key properties of 2-iminopentanimidamide?

2-iminopentanimidamide has a molecular weight of 113.16 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-iminopentanimidamide is sourced from PubChem (CID 90797983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).