2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine

C23H46N6O4 — CID 20509508

IUPAC2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCOCN(COCCCC)c1nc(N)nc(N(COCCCC)COCCCC)n1
InChIInChI=1S/C23H46N6O4/c1-5-9-13-30-17-28(18-31-14-10-6-2)22-25-21(24)26-23(27-22)29(19-32-15-11-7-3)20-33-16-12-8-4/h5-20H2,1-4H3,(H2,24,25,26,27)
InChIKeyVLPUOEIDERRCCF-UHFFFAOYSA-N
MW470.66 g/mol
LogP4.16
Rot. Bonds22

About 2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 20509508) has the molecular formula C23H46N6O4 and a molecular weight of 470.66 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID20509508
Molecular FormulaC23H46N6O4
Molecular Weight470.66 g/mol
Exact Mass470.36
IUPAC Name2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCOCN(COCCCC)c1nc(N)nc(N(COCCCC)COCCCC)n1
InChIInChI=1S/C23H46N6O4/c1-5-9-13-30-17-28(18-31-14-10-6-2)22-25-21(24)26-23(27-22)29(19-32-15-11-7-3)20-33-16-12-8-4/h5-20H2,1-4H3,(H2,24,25,26,27)
InChIKeyVLPUOEIDERRCCF-UHFFFAOYSA-N
XLogP4.16
TPSA108.09 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.66
LogP ≤ 54.16
H-Bond Donors ≤ 51
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,2-N,4-N,4-N-tetrakis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 20509508) is 2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine is CCCCOCN(COCCCC)c1nc(N)nc(N(COCCCC)COCCCC)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is VLPUOEIDERRCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N6O4/c1-5-9-13-30-17-28(18-31-14-10-6-2)22-25-21(24)26-23(27-22)29(19-32-15-11-7-3)20-33-16-12-8-4/h5-20H2,1-4H3,(H2,24,25,26,27).
What are the key properties of 2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 470.66 g/mol, XLogP of 4.16, 22 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 20509508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).