2-N-butyl-4-N,6-N-diethyl-4-N,6-N-bis(methoxymethyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C24H47N7O2 — CID 57307236

IUPAC2-N-butyl-4-N,6-N-diethyl-4-N,6-N-bis(methoxymethyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(N(CC)COC)nc(N(CC)COC)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H47N7O2/c1-10-13-14-31(19-15-23(4,5)28-24(6,7)16-19)22-26-20(29(11-2)17-32-8)25-21(27-22)30(12-3)18-33-9/h19,28H,10-18H2,1-9H3
InChIKeyPCQQUWOYWFUOSS-UHFFFAOYSA-N
MW465.69 g/mol
LogP3.65
Rot. Bonds13

About 2-N-butyl-4-N,6-N-diethyl-4-N,6-N-bis(methoxymethyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

2-N-butyl-4-N,6-N-diethyl-4-N,6-N-bis(methoxymethyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 57307236) has the molecular formula C24H47N7O2 and a molecular weight of 465.69 g/mol. Its IUPAC name is 2-N-butyl-4-N,6-N-diethyl-4-N,6-N-bis(methoxymethyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-butyl-4-N,6-N-diethyl-4-N,6-N-bis(methoxymethyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID57307236
Molecular FormulaC24H47N7O2
Molecular Weight465.69 g/mol
Exact Mass465.38
IUPAC Name2-N-butyl-4-N,6-N-diethyl-4-N,6-N-bis(methoxymethyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(N(CC)COC)nc(N(CC)COC)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H47N7O2/c1-10-13-14-31(19-15-23(4,5)28-24(6,7)16-19)22-26-20(29(11-2)17-32-8)25-21(27-22)30(12-3)18-33-9/h19,28H,10-18H2,1-9H3
InChIKeyPCQQUWOYWFUOSS-UHFFFAOYSA-N
XLogP3.65
TPSA78.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.69
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-N-butyl-4-N,6-N-diethyl-4-N,6-N-bis(methoxymethyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2,4-Dichloro-6-(N-(2,2,6,6-tetramethyl-4-piperidinyl)butylamino)-1,3,5-triazine
CID 6454726
6-Chloro-N,N'-bis(3-methoxypropyl)-N,N'-bis(2,2,6,6-tetramethyl-4-piperidyl)-1,3,5-triazine-2,4-diamine
CID 11970672
2-N,4-N,6-N,6-N-tetramethyl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-N-(trifluoromethyl)-1,3,5-triazine-2,4,6-triamine
CID 91550942
4-Chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-aminium chloride
CID 139072886
6-Chloro-N4-(2,2,6,6-tetramethylpiperidin-4-yl)-N2-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 139073237
2-Chloro-4,6-bis-(2,2,6,6-tetramethyl-4-piperidyl-butylamino)-1,3,5-triazine
CID 11114220
N-butyl-1-[4-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]-6-chloro-1,3,5-triazin-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 11699446
2-[N,N-bis(2,2,6,6-tetramethyl-4-piperidyl)amino]-4,6-dichloro-1,3,5-triazine
CID 14365120
6-chloro-2-N,4-N-diethyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 14746197
2-Chloro-4,6-bis[N-methyl-N-(2,2,6,6-tetramethyl-4-piperidyl)amino]-1,3,5-triazine
CID 14746198
2,4-bis-[N-ethyl-N-(2,2,6,6-tetramethyl-4-piperidyl)amino]-6-(2-hydroxyethoxy)-1,3,5-triazine
CID 14746200
2-[[4,6-Bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethanol
CID 14746201

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N,6-N-diethyl-4-N,6-N-bis(methoxymethyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-butyl-4-N,6-N-diethyl-4-N,6-N-bis(methoxymethyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 57307236) is 2-N-butyl-4-N,6-N-diethyl-4-N,6-N-bis(methoxymethyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-butyl-4-N,6-N-diethyl-4-N,6-N-bis(methoxymethyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-butyl-4-N,6-N-diethyl-4-N,6-N-bis(methoxymethyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCCN(c1nc(N(CC)COC)nc(N(CC)COC)n1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-N-butyl-4-N,6-N-diethyl-4-N,6-N-bis(methoxymethyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is PCQQUWOYWFUOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N7O2/c1-10-13-14-31(19-15-23(4,5)28-24(6,7)16-19)22-26-20(29(11-2)17-32-8)25-21(27-22)30(12-3)18-33-9/h19,28H,10-18H2,1-9H3.
What are the key properties of 2-N-butyl-4-N,6-N-diethyl-4-N,6-N-bis(methoxymethyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
2-N-butyl-4-N,6-N-diethyl-4-N,6-N-bis(methoxymethyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 465.69 g/mol, XLogP of 3.65, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-N,6-N-diethyl-4-N,6-N-bis(methoxymethyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 57307236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).