N,N'-dimethylethane-1,2-diamine;dihydrochloride

C₄H₁₄Cl₂N₂ — CID 13001181

About N,N'-dimethylethane-1,2-diamine;dihydrochloride

N,N'-dimethylethane-1,2-diamine;dihydrochloride (PubChem CID 13001181) has the molecular formula C₄H₁₄Cl₂N₂ and a molecular weight of 161.08 g/mol. Its IUPAC name is N,N'-dimethylethane-1,2-diamine;dihydrochloride.

Molecular Properties

• Compound Name: N,N'-dimethylethane-1,2-diamine;dihydrochloride
• PubChem CID: 13001181
• Molecular Formula: C₄H₁₄Cl₂N₂
• Molecular Weight: 161.08 g/mol
• Exact Mass: 160.05
• IUPAC Name: N,N'-dimethylethane-1,2-diamine;dihydrochloride
• SMILES: CNCCNC.Cl.Cl
• InChI: InChI=1S/C4H12N2.2ClH/c1-5-3-4-6-2;;/h5-6H,3-4H2,1-2H3;2*1H
• InChIKey: AOLGBGRMATZQJG-UHFFFAOYSA-N
• XLogP: 0.27
• TPSA: 24.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	161.08
LogP ≤ 5	0.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethylethane-1,2-diamine;dihydrochloride?

The IUPAC name of N,N'-dimethylethane-1,2-diamine;dihydrochloride (CID 13001181) is N,N'-dimethylethane-1,2-diamine;dihydrochloride.

What is the SMILES notation for N,N'-dimethylethane-1,2-diamine;dihydrochloride?

The canonical SMILES for N,N'-dimethylethane-1,2-diamine;dihydrochloride is CNCCNC.Cl.Cl.

What is the InChIKey of N,N'-dimethylethane-1,2-diamine;dihydrochloride?

The InChIKey is AOLGBGRMATZQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2.2ClH/c1-5-3-4-6-2;;/h5-6H,3-4H2,1-2H3;2*1H.

What are the key properties of N,N'-dimethylethane-1,2-diamine;dihydrochloride?

N,N'-dimethylethane-1,2-diamine;dihydrochloride has a molecular weight of 161.08 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N'-dimethylethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 13001181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 13001181 — identifiers, structure, computed properties (public domain)

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