4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C31H56N8O2 — CID 14365126

IUPAC4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCC1(C)CC(N(c2nc(NCC3CCCO3)nc(NCC3CCCO3)n2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C31H56N8O2/c1-28(2)15-21(16-29(3,4)37-28)39(22-17-30(5,6)38-31(7,8)18-22)27-35-25(32-19-23-11-9-13-40-23)34-26(36-27)33-20-24-12-10-14-41-24/h21-24,37-38H,9-20H2,1-8H3,(H2,32,33,34,35,36)
InChIKeyGIYMKOJSIMUNLU-UHFFFAOYSA-N
MW572.84 g/mol
LogP4.48
Rot. Bonds9

About 4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 14365126) has the molecular formula C31H56N8O2 and a molecular weight of 572.84 g/mol. Its IUPAC name is 4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID14365126
Molecular FormulaC31H56N8O2
Molecular Weight572.84 g/mol
Exact Mass572.45
IUPAC Name4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCC1(C)CC(N(c2nc(NCC3CCCO3)nc(NCC3CCCO3)n2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C31H56N8O2/c1-28(2)15-21(16-29(3,4)37-28)39(22-17-30(5,6)38-31(7,8)18-22)27-35-25(32-19-23-11-9-13-40-23)34-26(36-27)33-20-24-12-10-14-41-24/h21-24,37-38H,9-20H2,1-8H3,(H2,32,33,34,35,36)
InChIKeyGIYMKOJSIMUNLU-UHFFFAOYSA-N
XLogP4.48
TPSA108.49 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.84
LogP ≤ 54.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

6-morpholin-4-yl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 6611169
4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 14365132
2,4-Bis-morpholino-6-(4-butylamino-2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine
CID 19991747
N-[4,6-bis[oxolan-2-ylmethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine
CID 22902727
6-chloro-2-N,4-N-bis(oxolan-2-ylmethyl)-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 22902728
4,6-dimorpholino-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 42477704
4,6-dichloro-N-(oxolan-2-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 53772185

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 14365126) is 4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CC1(C)CC(N(c2nc(NCC3CCCO3)nc(NCC3CCCO3)n2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is GIYMKOJSIMUNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H56N8O2/c1-28(2)15-21(16-29(3,4)37-28)39(22-17-30(5,6)38-31(7,8)18-22)27-35-25(32-19-23-11-9-13-40-23)34-26(36-27)33-20-24-12-10-14-41-24/h21-24,37-38H,9-20H2,1-8H3,(H2,32,33,34,35,36).
What are the key properties of 4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 572.84 g/mol, XLogP of 4.48, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 14365126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).