2-N,2-N,4-N,4-N,6-N,6-N-hexabutoxy-1,3,5-triazine-2,4,6-triamine

C27H54N6O6 — CID 22138288

IUPAC2-N,2-N,4-N,4-N,6-N,6-N-hexabutoxy-1,3,5-triazine-2,4,6-triamine
SMILESCCCCON(OCCCC)c1nc(N(OCCCC)OCCCC)nc(N(OCCCC)OCCCC)n1
InChIInChI=1S/C27H54N6O6/c1-7-13-19-34-31(35-20-14-8-2)25-28-26(32(36-21-15-9-3)37-22-16-10-4)30-27(29-25)33(38-23-17-11-5)39-24-18-12-6/h7-24H2,1-6H3
InChIKeyHUMGQBDCYUVBIR-UHFFFAOYSA-N
MW558.77 g/mol
LogP6.68
Rot. Bonds27

About 2-N,2-N,4-N,4-N,6-N,6-N-hexabutoxy-1,3,5-triazine-2,4,6-triamine

2-N,2-N,4-N,4-N,6-N,6-N-hexabutoxy-1,3,5-triazine-2,4,6-triamine (PubChem CID 22138288) has the molecular formula C27H54N6O6 and a molecular weight of 558.77 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,6-N,6-N-hexabutoxy-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,6-N,6-N-hexabutoxy-1,3,5-triazine-2,4,6-triamine
PubChem CID22138288
Molecular FormulaC27H54N6O6
Molecular Weight558.77 g/mol
Exact Mass558.41
IUPAC Name2-N,2-N,4-N,4-N,6-N,6-N-hexabutoxy-1,3,5-triazine-2,4,6-triamine
SMILESCCCCON(OCCCC)c1nc(N(OCCCC)OCCCC)nc(N(OCCCC)OCCCC)n1
InChIInChI=1S/C27H54N6O6/c1-7-13-19-34-31(35-20-14-8-2)25-28-26(32(36-21-15-9-3)37-22-16-10-4)30-27(29-25)33(38-23-17-11-5)39-24-18-12-6/h7-24H2,1-6H3
InChIKeyHUMGQBDCYUVBIR-UHFFFAOYSA-N
XLogP6.68
TPSA103.77 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds27
Heavy Atoms39
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500558.77
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-hexabutoxy-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

Related Compounds

N-butoxy-N-methylmethanamine
CID 19988586
2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 139712262
dibutoxy-[4-[dibutoxy(methyl)silyl]butyl]-methylsilane
CID 87144867
N-butoxy-N-propylhydroxylamine
CID 88795262
2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine
CID 18981593
dibutoxy-methyl-octylsilane
CID 54173263
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
1-butylperoxybutane
CID 159275797
cadmium;bis(1-hydroperoxybutane)
CID 134995939
hafnium;1-hydroperoxybutane
CID 159843277
N-butoxy-N-propan-2-ylpropan-1-amine
CID 151187907
N-butoxy-N,2-dimethylpropan-1-amine
CID 166738532

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexabutoxy-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexabutoxy-1,3,5-triazine-2,4,6-triamine (CID 22138288) is 2-N,2-N,4-N,4-N,6-N,6-N-hexabutoxy-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N,6-N,6-N-hexabutoxy-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N,6-N,6-N-hexabutoxy-1,3,5-triazine-2,4,6-triamine is CCCCON(OCCCC)c1nc(N(OCCCC)OCCCC)nc(N(OCCCC)OCCCC)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N,6-N,6-N-hexabutoxy-1,3,5-triazine-2,4,6-triamine?
The InChIKey is HUMGQBDCYUVBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N6O6/c1-7-13-19-34-31(35-20-14-8-2)25-28-26(32(36-21-15-9-3)37-22-16-10-4)30-27(29-25)33(38-23-17-11-5)39-24-18-12-6/h7-24H2,1-6H3.
What are the key properties of 2-N,2-N,4-N,4-N,6-N,6-N-hexabutoxy-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,4-N,6-N,6-N-hexabutoxy-1,3,5-triazine-2,4,6-triamine has a molecular weight of 558.77 g/mol, XLogP of 6.68, 27 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N,6-N,6-N-hexabutoxy-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 22138288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).