1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol

C19H37N7O3 — CID 23956611

About 1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol

1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 23956611) has the molecular formula C19H37N7O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
• PubChem CID: 23956611
• Molecular Formula: C19H37N7O3
• Molecular Weight: 411.55 g/mol
• Exact Mass: 411.30
• IUPAC Name: 1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
• SMILES: CC(C)Nc1nc(NCCOCCOCCN)nc(NCC2(O)CCCCC2)n1
• InChI: InChI=1S/C19H37N7O3/c1-15(2)23-18-25-16(21-9-11-29-13-12-28-10-8-20)24-17(26-18)22-14-19(27)6-4-3-5-7-19/h15,27H,3-14,20H2,1-2H3,(H3,21,22,23,24,25,26)
• InChIKey: WHAXEUMHCZFSNT-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 139.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.55
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	5
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 1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?

The IUPAC name of 1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol (CID 23956611) is 1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol.

What is the SMILES notation for 1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?

The canonical SMILES for 1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol is CC(C)Nc1nc(NCCOCCOCCN)nc(NCC2(O)CCCCC2)n1.

What is the InChIKey of 1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?

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

What are the key properties of 1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?

1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 411.55 g/mol, XLogP of 1.20, 14 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 23956611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).