2,2,4,4,6,6-hexakis(ethoxymethyl)-1,3,5-triazinane-1,3,5-triamine

C21H48N6O6 — CID 21127168

IUPAC2,2,4,4,6,6-hexakis(ethoxymethyl)-1,3,5-triazinane-1,3,5-triamine
SMILESCCOCC1(COCC)N(N)C(COCC)(COCC)N(N)C(COCC)(COCC)N1N
InChIInChI=1S/C21H48N6O6/c1-7-28-13-19(14-29-8-2)25(22)20(15-30-9-3,16-31-10-4)27(24)21(26(19)23,17-32-11-5)18-33-12-6/h7-18,22-24H2,1-6H3
InChIKeyDHEGKYQETYXAGO-UHFFFAOYSA-N
MW480.65 g/mol
LogP-0.17
Rot. Bonds18

About 2,2,4,4,6,6-hexakis(ethoxymethyl)-1,3,5-triazinane-1,3,5-triamine

2,2,4,4,6,6-hexakis(ethoxymethyl)-1,3,5-triazinane-1,3,5-triamine (PubChem CID 21127168) has the molecular formula C21H48N6O6 and a molecular weight of 480.65 g/mol. Its IUPAC name is 2,2,4,4,6,6-hexakis(ethoxymethyl)-1,3,5-triazinane-1,3,5-triamine.

Molecular Properties

Compound Name2,2,4,4,6,6-hexakis(ethoxymethyl)-1,3,5-triazinane-1,3,5-triamine
PubChem CID21127168
Molecular FormulaC21H48N6O6
Molecular Weight480.65 g/mol
Exact Mass480.36
IUPAC Name2,2,4,4,6,6-hexakis(ethoxymethyl)-1,3,5-triazinane-1,3,5-triamine
SMILESCCOCC1(COCC)N(N)C(COCC)(COCC)N(N)C(COCC)(COCC)N1N
InChIInChI=1S/C21H48N6O6/c1-7-28-13-19(14-29-8-2)25(22)20(15-30-9-3,16-31-10-4)27(24)21(26(19)23,17-32-11-5)18-33-12-6/h7-18,22-24H2,1-6H3
InChIKeyDHEGKYQETYXAGO-UHFFFAOYSA-N
XLogP-0.17
TPSA143.16 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6-hexakis(ethoxymethyl)-1,3,5-triazinane-1,3,5-triamine?
The IUPAC name of 2,2,4,4,6,6-hexakis(ethoxymethyl)-1,3,5-triazinane-1,3,5-triamine (CID 21127168) is 2,2,4,4,6,6-hexakis(ethoxymethyl)-1,3,5-triazinane-1,3,5-triamine.
What is the SMILES notation for 2,2,4,4,6,6-hexakis(ethoxymethyl)-1,3,5-triazinane-1,3,5-triamine?
The canonical SMILES for 2,2,4,4,6,6-hexakis(ethoxymethyl)-1,3,5-triazinane-1,3,5-triamine is CCOCC1(COCC)N(N)C(COCC)(COCC)N(N)C(COCC)(COCC)N1N.
What is the InChIKey of 2,2,4,4,6,6-hexakis(ethoxymethyl)-1,3,5-triazinane-1,3,5-triamine?
The InChIKey is DHEGKYQETYXAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H48N6O6/c1-7-28-13-19(14-29-8-2)25(22)20(15-30-9-3,16-31-10-4)27(24)21(26(19)23,17-32-11-5)18-33-12-6/h7-18,22-24H2,1-6H3.
What are the key properties of 2,2,4,4,6,6-hexakis(ethoxymethyl)-1,3,5-triazinane-1,3,5-triamine?
2,2,4,4,6,6-hexakis(ethoxymethyl)-1,3,5-triazinane-1,3,5-triamine has a molecular weight of 480.65 g/mol, XLogP of -0.17, 18 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6-hexakis(ethoxymethyl)-1,3,5-triazinane-1,3,5-triamine is sourced from PubChem (CID 21127168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).