4-N,6-N-dimethyl-2-N-(12-trihydroxysilyldodecyl)-1,3,5-triazine-2,4,6-triamine

C17H36N6O3Si — CID 172749427

IUPAC4-N,6-N-dimethyl-2-N-(12-trihydroxysilyldodecyl)-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NC)nc(NCCCCCCCCCCCC[Si](O)(O)O)n1
InChIInChI=1S/C17H36N6O3Si/c1-18-15-21-16(19-2)23-17(22-15)20-13-11-9-7-5-3-4-6-8-10-12-14-27(24,25)26/h24-26H,3-14H2,1-2H3,(H3,18,19,20,21,22,23)
InChIKeyKDZXOEAIXBQWIT-UHFFFAOYSA-N
MW400.60 g/mol
LogP2.18
Rot. Bonds16

About 4-N,6-N-dimethyl-2-N-(12-trihydroxysilyldodecyl)-1,3,5-triazine-2,4,6-triamine

4-N,6-N-dimethyl-2-N-(12-trihydroxysilyldodecyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 172749427) has the molecular formula C17H36N6O3Si and a molecular weight of 400.60 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-2-N-(12-trihydroxysilyldodecyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-2-N-(12-trihydroxysilyldodecyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID172749427
Molecular FormulaC17H36N6O3Si
Molecular Weight400.60 g/mol
Exact Mass400.26
IUPAC Name4-N,6-N-dimethyl-2-N-(12-trihydroxysilyldodecyl)-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NC)nc(NCCCCCCCCCCCC[Si](O)(O)O)n1
InChIInChI=1S/C17H36N6O3Si/c1-18-15-21-16(19-2)23-17(22-15)20-13-11-9-7-5-3-4-6-8-10-12-14-27(24,25)26/h24-26H,3-14H2,1-2H3,(H3,18,19,20,21,22,23)
InChIKeyKDZXOEAIXBQWIT-UHFFFAOYSA-N
XLogP2.18
TPSA135.45 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.60
LogP ≤ 52.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-N,6-N-dimethyl-2-N-(12-trihydroxysilyldodecyl)-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

5-[[4-[5-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentylamino]-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 139460958
6-chloro-4-N-methyl-2-N-octyl-1,3,5-triazine-2,4-diamine
CID 113336801
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 58763740
6-chloro-4-N-methyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine
CID 107818923
7-[[4,6-bis(7-hydroxyheptylamino)-1,3,5-triazin-2-yl]amino]heptan-1-ol
CID 139959885
5-[[4,6-bis(5-hydroxypentylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 12010696
6-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855305
2-N,2-N,6-N-trimethyl-4-N-(7-methyloctyl)-1,3,5-triazine-2,4,6-triamine
CID 107818936
5-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentanamide
CID 106241626
4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80816587
[[4-(hydroxymethylamino)-6-(octadecylamino)-1,3,5-triazin-2-yl]amino]methanol
CID 158284929
5-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide
CID 106241670

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-2-N-(12-trihydroxysilyldodecyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-dimethyl-2-N-(12-trihydroxysilyldodecyl)-1,3,5-triazine-2,4,6-triamine (CID 172749427) is 4-N,6-N-dimethyl-2-N-(12-trihydroxysilyldodecyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-dimethyl-2-N-(12-trihydroxysilyldodecyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-dimethyl-2-N-(12-trihydroxysilyldodecyl)-1,3,5-triazine-2,4,6-triamine is CNc1nc(NC)nc(NCCCCCCCCCCCC[Si](O)(O)O)n1.
What is the InChIKey of 4-N,6-N-dimethyl-2-N-(12-trihydroxysilyldodecyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is KDZXOEAIXBQWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N6O3Si/c1-18-15-21-16(19-2)23-17(22-15)20-13-11-9-7-5-3-4-6-8-10-12-14-27(24,25)26/h24-26H,3-14H2,1-2H3,(H3,18,19,20,21,22,23).
What are the key properties of 4-N,6-N-dimethyl-2-N-(12-trihydroxysilyldodecyl)-1,3,5-triazine-2,4,6-triamine?
4-N,6-N-dimethyl-2-N-(12-trihydroxysilyldodecyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 400.60 g/mol, XLogP of 2.18, 16 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-2-N-(12-trihydroxysilyldodecyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 172749427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).