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

C18H35N7O3 — CID 23901081

IUPAC6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butan-2-yl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCC(C)Nc1nc(NCCOCCOCCN)nc(NCC2CCCO2)n1
InChIInChI=1S/C18H35N7O3/c1-3-14(2)22-18-24-16(20-7-10-27-12-11-26-9-6-19)23-17(25-18)21-13-15-5-4-8-28-15/h14-15H,3-13,19H2,1-2H3,(H3,20,21,22,23,24,25)
InChIKeyXRYYSEMCYMRKNM-UHFFFAOYSA-N
MW397.52 g/mol
LogP1.08
Rot. Bonds15

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

6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butan-2-yl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 23901081) has the molecular formula C18H35N7O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butan-2-yl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butan-2-yl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID23901081
Molecular FormulaC18H35N7O3
Molecular Weight397.52 g/mol
Exact Mass397.28
IUPAC Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butan-2-yl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCC(C)Nc1nc(NCCOCCOCCN)nc(NCC2CCCO2)n1
InChIInChI=1S/C18H35N7O3/c1-3-14(2)22-18-24-16(20-7-10-27-12-11-26-9-6-19)23-17(25-18)21-13-15-5-4-8-28-15/h14-15H,3-13,19H2,1-2H3,(H3,20,21,22,23,24,25)
InChIKeyXRYYSEMCYMRKNM-UHFFFAOYSA-N
XLogP1.08
TPSA128.47 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butan-2-yl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butan-2-yl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine (CID 23901081) is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butan-2-yl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butan-2-yl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butan-2-yl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine is CCC(C)Nc1nc(NCCOCCOCCN)nc(NCC2CCCO2)n1.
What is the InChIKey of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butan-2-yl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XRYYSEMCYMRKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N7O3/c1-3-14(2)22-18-24-16(20-7-10-27-12-11-26-9-6-19)23-17(25-18)21-13-15-5-4-8-28-15/h14-15H,3-13,19H2,1-2H3,(H3,20,21,22,23,24,25).
What are the key properties of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butan-2-yl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butan-2-yl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 397.52 g/mol, XLogP of 1.08, 15 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butan-2-yl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23901081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).