2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxymethyl]-1,3,5-triazine-2,4,6-triamine;hydrazine

C33H70N8O6 — CID 157164761

IUPAC2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxymethyl]-1,3,5-triazine-2,4,6-triamine;hydrazine
SMILESCC(C)(C)OCN(COC(C)(C)C)c1nc(N(COC(C)(C)C)COC(C)(C)C)nc(N(COC(C)(C)C)COC(C)(C)C)n1.NN
InChIInChI=1S/C33H66N6O6.H4N2/c1-28(2,3)40-19-37(20-41-29(4,5)6)25-34-26(38(21-42-30(7,8)9)22-43-31(10,11)12)36-27(35-25)39(23-44-32(13,14)15)24-45-33(16,17)18;1-2/h19-24H2,1-18H3;1-2H2
InChIKeyAMTXBVGVCVPAGI-UHFFFAOYSA-N
MW674.97 g/mol
LogP5.75
Rot. Bonds15

About 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxymethyl]-1,3,5-triazine-2,4,6-triamine;hydrazine

2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxymethyl]-1,3,5-triazine-2,4,6-triamine;hydrazine (PubChem CID 157164761) has the molecular formula C33H70N8O6 and a molecular weight of 674.97 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxymethyl]-1,3,5-triazine-2,4,6-triamine;hydrazine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxymethyl]-1,3,5-triazine-2,4,6-triamine;hydrazine
PubChem CID157164761
Molecular FormulaC33H70N8O6
Molecular Weight674.97 g/mol
Exact Mass674.54
IUPAC Name2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxymethyl]-1,3,5-triazine-2,4,6-triamine;hydrazine
SMILESCC(C)(C)OCN(COC(C)(C)C)c1nc(N(COC(C)(C)C)COC(C)(C)C)nc(N(COC(C)(C)C)COC(C)(C)C)n1.NN
InChIInChI=1S/C33H66N6O6.H4N2/c1-28(2,3)40-19-37(20-41-29(4,5)6)25-34-26(38(21-42-30(7,8)9)22-43-31(10,11)12)36-27(35-25)39(23-44-32(13,14)15)24-45-33(16,17)18;1-2/h19-24H2,1-18H3;1-2H2
InChIKeyAMTXBVGVCVPAGI-UHFFFAOYSA-N
XLogP5.75
TPSA155.81 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500674.97
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxymethyl]-1,3,5-triazine-2,4,6-triamine;hydrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxymethyl]-1,3,5-triazine-2,4,6-triamine;hydrazine?
The IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxymethyl]-1,3,5-triazine-2,4,6-triamine;hydrazine (CID 157164761) is 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxymethyl]-1,3,5-triazine-2,4,6-triamine;hydrazine.
What is the SMILES notation for 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxymethyl]-1,3,5-triazine-2,4,6-triamine;hydrazine?
The canonical SMILES for 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxymethyl]-1,3,5-triazine-2,4,6-triamine;hydrazine is CC(C)(C)OCN(COC(C)(C)C)c1nc(N(COC(C)(C)C)COC(C)(C)C)nc(N(COC(C)(C)C)COC(C)(C)C)n1.NN.
What is the InChIKey of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxymethyl]-1,3,5-triazine-2,4,6-triamine;hydrazine?
The InChIKey is AMTXBVGVCVPAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H66N6O6.H4N2/c1-28(2,3)40-19-37(20-41-29(4,5)6)25-34-26(38(21-42-30(7,8)9)22-43-31(10,11)12)36-27(35-25)39(23-44-32(13,14)15)24-45-33(16,17)18;1-2/h19-24H2,1-18H3;1-2H2.
What are the key properties of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxymethyl]-1,3,5-triazine-2,4,6-triamine;hydrazine?
2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxymethyl]-1,3,5-triazine-2,4,6-triamine;hydrazine has a molecular weight of 674.97 g/mol, XLogP of 5.75, 15 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxymethyl]-1,3,5-triazine-2,4,6-triamine;hydrazine is sourced from PubChem (CID 157164761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).