N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen

C₁₄H₃₄N₂O — CID 156884797

About N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen

N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen (PubChem CID 156884797) has the molecular formula C₁₄H₃₄N₂O and a molecular weight of 246.44 g/mol. Its IUPAC name is N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen.

Molecular Properties

• Compound Name: N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen
• PubChem CID: 156884797
• Molecular Formula: C₁₄H₃₄N₂O
• Molecular Weight: 246.44 g/mol
• Exact Mass: 246.27
• IUPAC Name: N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen
• SMILES: CCOCCCCN(CC)CCCNC(C)C.[H][H]
• InChI: InChI=1S/C14H32N2O.H2/c1-5-16(11-7-8-13-17-6-2)12-9-10-15-14(3)4;/h14-15H,5-13H2,1-4H3;1H
• InChIKey: HHFUPWIRQONBDG-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 24.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	246.44
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen?

The IUPAC name of N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen (CID 156884797) is N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen.

What is the SMILES notation for N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen?

The canonical SMILES for N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen is CCOCCCCN(CC)CCCNC(C)C.[H][H].

What is the InChIKey of N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen?

The InChIKey is HHFUPWIRQONBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O.H2/c1-5-16(11-7-8-13-17-6-2)12-9-10-15-14(3)4;/h14-15H,5-13H2,1-4H3;1H.

What are the key properties of N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen?

N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen has a molecular weight of 246.44 g/mol, XLogP of 2.76, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen is sourced from PubChem (CID 156884797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156884797 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.