Methanediamine;propane

C₇H₂₂N₂ — CID 157068020

About Methanediamine;propane

Methanediamine;propane (PubChem CID 157068020) has the molecular formula C₇H₂₂N₂ and a molecular weight of 134.27 g/mol. Its IUPAC name is methanediamine;propane.

Molecular Properties

• Compound Name: Methanediamine;propane
• PubChem CID: 157068020
• Molecular Formula: C₇H₂₂N₂
• Molecular Weight: 134.27 g/mol
• Exact Mass: 134.18
• IUPAC Name: methanediamine;propane
• SMILES: CCC.CCC.NCN
• InChI: InChI=1S/2C3H8.CH6N2/c2*1-3-2;2-1-3/h2*3H2,1-2H3;1-3H2
• InChIKey: ACCIHKZGPFUJSW-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 52.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	134.27
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Methanediamine;propane?

The IUPAC name of Methanediamine;propane (CID 157068020) is methanediamine;propane.

What is the SMILES notation for Methanediamine;propane?

The canonical SMILES for Methanediamine;propane is CCC.CCC.NCN.

What is the InChIKey of Methanediamine;propane?

The InChIKey is ACCIHKZGPFUJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H8.CH6N2/c2*1-3-2;2-1-3/h2*3H2,1-2H3;1-3H2.

What are the key properties of Methanediamine;propane?

Methanediamine;propane has a molecular weight of 134.27 g/mol, XLogP of 1.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Methanediamine;propane is sourced from PubChem (CID 157068020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157068020 — identifiers, structure, computed properties (public domain)

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