2-N,4-N-bis(butoxymethyl)-6-N-ethyl-2-N,4-N-bis(methoxymethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine

C20H40N6O4 — CID 20676471

IUPAC2-N,4-N-bis(butoxymethyl)-6-N-ethyl-2-N,4-N-bis(methoxymethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCOCN(COC)c1nc(N(C)CC)nc(N(COC)COCCCC)n1
InChIInChI=1S/C20H40N6O4/c1-7-10-12-29-16-25(14-27-5)19-21-18(24(4)9-3)22-20(23-19)26(15-28-6)17-30-13-11-8-2/h7-17H2,1-6H3
InChIKeyHEXHOZGKAWKKER-UHFFFAOYSA-N
MW428.58 g/mol
LogP2.70
Rot. Bonds18

About 2-N,4-N-bis(butoxymethyl)-6-N-ethyl-2-N,4-N-bis(methoxymethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine

2-N,4-N-bis(butoxymethyl)-6-N-ethyl-2-N,4-N-bis(methoxymethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 20676471) has the molecular formula C20H40N6O4 and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-N,4-N-bis(butoxymethyl)-6-N-ethyl-2-N,4-N-bis(methoxymethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-bis(butoxymethyl)-6-N-ethyl-2-N,4-N-bis(methoxymethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID20676471
Molecular FormulaC20H40N6O4
Molecular Weight428.58 g/mol
Exact Mass428.31
IUPAC Name2-N,4-N-bis(butoxymethyl)-6-N-ethyl-2-N,4-N-bis(methoxymethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCOCN(COC)c1nc(N(C)CC)nc(N(COC)COCCCC)n1
InChIInChI=1S/C20H40N6O4/c1-7-10-12-29-16-25(14-27-5)19-21-18(24(4)9-3)22-20(23-19)26(15-28-6)17-30-13-11-8-2/h7-17H2,1-6H3
InChIKeyHEXHOZGKAWKKER-UHFFFAOYSA-N
XLogP2.70
TPSA85.31 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-N,4-N-bis(butoxymethyl)-6-N-ethyl-2-N,4-N-bis(methoxymethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2-N-(butoxymethyl)-2-N,4-N-bis(methoxymethyl)-4-N-methyl-6-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 58341514
2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 139712262
1-[[4-[bis(butoxymethyl)amino]-6-ethyl-1,3,5-triazin-2-yl]-(butoxymethyl)amino]pentan-1-ol
CID 67518532
[[4-[bis(methoxymethyl)amino]-6-[ethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol;hydrate
CID 161263842
1-[[4-[bis(butoxymethyl)amino]-6-cyclohexyl-1,3,5-triazin-2-yl]-(butoxymethyl)amino]pentan-1-ol
CID 70842070
2-N,2-N,4-N-triethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80774543
N-[[[4-[ethyl(methyl)amino]-6-[methoxymethyl-[[(3-methylideneoxiran-2-yl)amino]methyl]amino]-1,3,5-triazin-2-yl]-methylamino]methyl]prop-2-enamide
CID 59522990
N-[4-[ethyl(hydroxy)amino]-6-[[(E)-4-methoxybut-2-enoxy]methyl-(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 59141662
4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 62870530
N-[2-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]ethyl]hydroxylamine
CID 58463192
N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide
CID 156601175
6-N-methyl-6-N-(methylaminomethyl)-2-N,2-N,4-N,4-N-tetraoctyl-1,3,5-triazine-2,4,6-triamine
CID 59356287

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(butoxymethyl)-6-N-ethyl-2-N,4-N-bis(methoxymethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-bis(butoxymethyl)-6-N-ethyl-2-N,4-N-bis(methoxymethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 20676471) is 2-N,4-N-bis(butoxymethyl)-6-N-ethyl-2-N,4-N-bis(methoxymethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-bis(butoxymethyl)-6-N-ethyl-2-N,4-N-bis(methoxymethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-bis(butoxymethyl)-6-N-ethyl-2-N,4-N-bis(methoxymethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine is CCCCOCN(COC)c1nc(N(C)CC)nc(N(COC)COCCCC)n1.
What is the InChIKey of 2-N,4-N-bis(butoxymethyl)-6-N-ethyl-2-N,4-N-bis(methoxymethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is HEXHOZGKAWKKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N6O4/c1-7-10-12-29-16-25(14-27-5)19-21-18(24(4)9-3)22-20(23-19)26(15-28-6)17-30-13-11-8-2/h7-17H2,1-6H3.
What are the key properties of 2-N,4-N-bis(butoxymethyl)-6-N-ethyl-2-N,4-N-bis(methoxymethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-bis(butoxymethyl)-6-N-ethyl-2-N,4-N-bis(methoxymethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 428.58 g/mol, XLogP of 2.70, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(butoxymethyl)-6-N-ethyl-2-N,4-N-bis(methoxymethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 20676471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).