4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-(3-methylbutyl)-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine

C19H37N7O3 — CID 23816506

About 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-(3-methylbutyl)-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-(3-methylbutyl)-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 23816506) has the molecular formula C19H37N7O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-(3-methylbutyl)-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-(3-methylbutyl)-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 23816506
• Molecular Formula: C19H37N7O3
• Molecular Weight: 411.55 g/mol
• Exact Mass: 411.30
• IUPAC Name: 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-(3-methylbutyl)-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CC(C)CCNc1nc(NCCOCCOCCN)nc(NCC2CCCO2)n1
• InChI: InChI=1S/C19H37N7O3/c1-15(2)5-7-21-17-24-18(22-8-11-28-13-12-27-10-6-20)26-19(25-17)23-14-16-4-3-9-29-16/h15-16H,3-14,20H2,1-2H3,(H3,21,22,23,24,25,26)
• InChIKey: UWZNTOTWNGZHJI-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 128.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.55
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-(3-methylbutyl)-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-(3-methylbutyl)-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine (CID 23816506) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-(3-methylbutyl)-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-(3-methylbutyl)-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-(3-methylbutyl)-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine is CC(C)CCNc1nc(NCCOCCOCCN)nc(NCC2CCCO2)n1.

What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-(3-methylbutyl)-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is UWZNTOTWNGZHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N7O3/c1-15(2)5-7-21-17-24-18(22-8-11-28-13-12-27-10-6-20)26-19(25-17)23-14-16-4-3-9-29-16/h15-16H,3-14,20H2,1-2H3,(H3,21,22,23,24,25,26).

What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-(3-methylbutyl)-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-(3-methylbutyl)-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 411.55 g/mol, XLogP of 1.32, 16 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-(3-methylbutyl)-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23816506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).