2-N,2-N'-dimethyloct-3-ene-2,2-diamine

C₁₀H₂₂N₂ — CID 91498608

About 2-N,2-N'-dimethyloct-3-ene-2,2-diamine

2-N,2-N'-dimethyloct-3-ene-2,2-diamine (PubChem CID 91498608) has the molecular formula C₁₀H₂₂N₂ and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-N,2-N'-dimethyloct-3-ene-2,2-diamine.

Molecular Properties

• Compound Name: 2-N,2-N'-dimethyloct-3-ene-2,2-diamine
• PubChem CID: 91498608
• Molecular Formula: C₁₀H₂₂N₂
• Molecular Weight: 170.30 g/mol
• Exact Mass: 170.18
• IUPAC Name: 2-N,2-N'-dimethyloct-3-ene-2,2-diamine
• SMILES: CCCCC=CC(C)(NC)NC
• InChI: InChI=1S/C10H22N2/c1-5-6-7-8-9-10(2,11-3)12-4/h8-9,11-12H,5-7H2,1-4H3
• InChIKey: MDEWFTJCIQEYEQ-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 24.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	170.30
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N'-dimethyloct-3-ene-2,2-diamine?

The IUPAC name of 2-N,2-N'-dimethyloct-3-ene-2,2-diamine (CID 91498608) is 2-N,2-N'-dimethyloct-3-ene-2,2-diamine.

What is the SMILES notation for 2-N,2-N'-dimethyloct-3-ene-2,2-diamine?

The canonical SMILES for 2-N,2-N'-dimethyloct-3-ene-2,2-diamine is CCCCC=CC(C)(NC)NC.

What is the InChIKey of 2-N,2-N'-dimethyloct-3-ene-2,2-diamine?

The InChIKey is MDEWFTJCIQEYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-5-6-7-8-9-10(2,11-3)12-4/h8-9,11-12H,5-7H2,1-4H3.

What are the key properties of 2-N,2-N'-dimethyloct-3-ene-2,2-diamine?

2-N,2-N'-dimethyloct-3-ene-2,2-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,2-N'-dimethyloct-3-ene-2,2-diamine is sourced from PubChem (CID 91498608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 91498608 — identifiers, structure, computed properties (public domain)

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