2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine

C₁₆H₃₄N₂ — CID 103070964

About 2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine

2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 103070964) has the molecular formula C₁₆H₃₄N₂ and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

• Compound Name: 2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine
• PubChem CID: 103070964
• Molecular Formula: C₁₆H₃₄N₂
• Molecular Weight: 254.46 g/mol
• Exact Mass: 254.27
• IUPAC Name: 2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine
• SMILES: C=C(CNC(C)C)CN(CC(C)C)C(CC)CC
• InChI: InChI=1S/C16H34N2/c1-8-16(9-2)18(11-13(3)4)12-15(7)10-17-14(5)6/h13-14,16-17H,7-12H2,1-6H3
• InChIKey: HNKHTYRKJBRYQQ-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	254.46
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine?

The IUPAC name of 2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine (CID 103070964) is 2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine.

What is the SMILES notation for 2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine?

The canonical SMILES for 2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine is C=C(CNC(C)C)CN(CC(C)C)C(CC)CC.

What is the InChIKey of 2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine?

The InChIKey is HNKHTYRKJBRYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-8-16(9-2)18(11-13(3)4)12-15(7)10-17-14(5)6/h13-14,16-17H,7-12H2,1-6H3.

What are the key properties of 2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine?

2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 103070964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103070964 — identifiers, structure, computed properties (public domain)

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