N,N-dibutyl-4,6-bis[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine

C21H40N4O6 — CID 22095963

IUPACN,N-dibutyl-4,6-bis[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
SMILESCCCCN(CCCC)c1nc(OCCOCCOC)nc(OCCOCCOC)n1
InChIInChI=1S/C21H40N4O6/c1-5-7-9-25(10-8-6-2)19-22-20(30-17-15-28-13-11-26-3)24-21(23-19)31-18-16-29-14-12-27-4/h5-18H2,1-4H3
InChIKeyBVKOYDDOIXHGDT-UHFFFAOYSA-N
MW444.57 g/mol
LogP2.36
Rot. Bonds21

About N,N-dibutyl-4,6-bis[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine

N,N-dibutyl-4,6-bis[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine (PubChem CID 22095963) has the molecular formula C21H40N4O6 and a molecular weight of 444.57 g/mol. Its IUPAC name is N,N-dibutyl-4,6-bis[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-dibutyl-4,6-bis[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
PubChem CID22095963
Molecular FormulaC21H40N4O6
Molecular Weight444.57 g/mol
Exact Mass444.29
IUPAC NameN,N-dibutyl-4,6-bis[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
SMILESCCCCN(CCCC)c1nc(OCCOCCOC)nc(OCCOCCOC)n1
InChIInChI=1S/C21H40N4O6/c1-5-7-9-25(10-8-6-2)19-22-20(30-17-15-28-13-11-26-3)24-21(23-19)31-18-16-29-14-12-27-4/h5-18H2,1-4H3
InChIKeyBVKOYDDOIXHGDT-UHFFFAOYSA-N
XLogP2.36
TPSA97.29 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 52.36
H-Bond Donors ≤ 50
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 N,N-dibutyl-4,6-bis[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine?
The IUPAC name of N,N-dibutyl-4,6-bis[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine (CID 22095963) is N,N-dibutyl-4,6-bis[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-dibutyl-4,6-bis[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-dibutyl-4,6-bis[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine is CCCCN(CCCC)c1nc(OCCOCCOC)nc(OCCOCCOC)n1.
What is the InChIKey of N,N-dibutyl-4,6-bis[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine?
The InChIKey is BVKOYDDOIXHGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4O6/c1-5-7-9-25(10-8-6-2)19-22-20(30-17-15-28-13-11-26-3)24-21(23-19)31-18-16-29-14-12-27-4/h5-18H2,1-4H3.
What are the key properties of N,N-dibutyl-4,6-bis[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine?
N,N-dibutyl-4,6-bis[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine has a molecular weight of 444.57 g/mol, XLogP of 2.36, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4,6-bis[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine is sourced from PubChem (CID 22095963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).