N-[2-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]ethyl]hydroxylamine

C13H26N6O5 — CID 58463192

IUPACN-[2-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]ethyl]hydroxylamine
SMILESCOCN(COC)c1nc(CCNO)nc(N(COC)COC)n1
InChIInChI=1S/C13H26N6O5/c1-21-7-18(8-22-2)12-15-11(5-6-14-20)16-13(17-12)19(9-23-3)10-24-4/h14,20H,5-10H2,1-4H3
InChIKeyOQYBTVDHSJTLLC-UHFFFAOYSA-N
MW346.39 g/mol
LogP-0.58
Rot. Bonds13

About N-[2-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]ethyl]hydroxylamine

N-[2-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]ethyl]hydroxylamine (PubChem CID 58463192) has the molecular formula C13H26N6O5 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[2-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[2-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]ethyl]hydroxylamine
PubChem CID58463192
Molecular FormulaC13H26N6O5
Molecular Weight346.39 g/mol
Exact Mass346.20
IUPAC NameN-[2-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]ethyl]hydroxylamine
SMILESCOCN(COC)c1nc(CCNO)nc(N(COC)COC)n1
InChIInChI=1S/C13H26N6O5/c1-21-7-18(8-22-2)12-15-11(5-6-14-20)16-13(17-12)19(9-23-3)10-24-4/h14,20H,5-10H2,1-4H3
InChIKeyOQYBTVDHSJTLLC-UHFFFAOYSA-N
XLogP-0.58
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.39
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

[[4-[bis(methoxymethyl)amino]-6-[ethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol;hydrate
CID 161263842
1-[[4-[bis(methoxymethyl)amino]-6-[1-hydroxyethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol
CID 71179239
N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide
CID 156601175
[[4,6-bis[methoxymethyl(prop-2-enoyloxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methyl prop-2-enoate
CID 132518202
N-[4-[bis(methoxymethyl)amino]-6-[hydroxy(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 59602554
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
6-[1-(aminomethoxy)-2-methoxyethyl]-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine
CID 70903216
2-[[4-(2-bicyclo[2.2.1]heptanyl)-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol
CID 20822509
2-N-ethyl-2-N-(2-methoxyethyl)-6-propyl-1,3,5-triazine-2,4-diamine
CID 112746069
[(4,6-diamino-1,3,5-triazin-2-yl)-(methoxymethyl)amino]methyl octadecanoate
CID 3017855
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
1-[[4-[bis(1-hydroxyethyl)amino]-6-[1-hydroxyethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol
CID 155616901

Frequently Asked Questions

What is the IUPAC name of N-[2-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]ethyl]hydroxylamine?
The IUPAC name of N-[2-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]ethyl]hydroxylamine (CID 58463192) is N-[2-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]ethyl]hydroxylamine.
What is the SMILES notation for N-[2-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]ethyl]hydroxylamine?
The canonical SMILES for N-[2-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]ethyl]hydroxylamine is COCN(COC)c1nc(CCNO)nc(N(COC)COC)n1.
What is the InChIKey of N-[2-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]ethyl]hydroxylamine?
The InChIKey is OQYBTVDHSJTLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O5/c1-21-7-18(8-22-2)12-15-11(5-6-14-20)16-13(17-12)19(9-23-3)10-24-4/h14,20H,5-10H2,1-4H3.
What are the key properties of N-[2-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]ethyl]hydroxylamine?
N-[2-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]ethyl]hydroxylamine has a molecular weight of 346.39 g/mol, XLogP of -0.58, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]ethyl]hydroxylamine is sourced from PubChem (CID 58463192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).