N-[4,6-bis[oxolan-2-ylmethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine

C33H60N8O3 — CID 22902727

IUPACN-[4,6-bis[oxolan-2-ylmethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine
SMILESCN1C(C)(C)CC(N(CC2CCCO2)c2nc(NO)nc(N(CC3CCCO3)C3CC(C)(C)N(C)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C33H60N8O3/c1-30(2)17-23(18-31(3,4)38(30)9)40(21-25-13-11-15-43-25)28-34-27(37-42)35-29(36-28)41(22-26-14-12-16-44-26)24-19-32(5,6)39(10)33(7,8)20-24/h23-26,42H,11-22H2,1-10H3,(H,34,35,36,37)
InChIKeyZHTBDRATFMAPSO-UHFFFAOYSA-N
MW616.90 g/mol
LogP4.95
Rot. Bonds9

About N-[4,6-bis[oxolan-2-ylmethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine

N-[4,6-bis[oxolan-2-ylmethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine (PubChem CID 22902727) has the molecular formula C33H60N8O3 and a molecular weight of 616.90 g/mol. Its IUPAC name is N-[4,6-bis[oxolan-2-ylmethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4,6-bis[oxolan-2-ylmethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine
PubChem CID22902727
Molecular FormulaC33H60N8O3
Molecular Weight616.90 g/mol
Exact Mass616.48
IUPAC NameN-[4,6-bis[oxolan-2-ylmethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine
SMILESCN1C(C)(C)CC(N(CC2CCCO2)c2nc(NO)nc(N(CC3CCCO3)C3CC(C)(C)N(C)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C33H60N8O3/c1-30(2)17-23(18-31(3,4)38(30)9)40(21-25-13-11-15-43-25)28-34-27(37-42)35-29(36-28)41(22-26-14-12-16-44-26)24-19-32(5,6)39(10)33(7,8)20-24/h23-26,42H,11-22H2,1-10H3,(H,34,35,36,37)
InChIKeyZHTBDRATFMAPSO-UHFFFAOYSA-N
XLogP4.95
TPSA102.35 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.90
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
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
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
N-[4-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydroxylamine
CID 88373123

Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis[oxolan-2-ylmethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine?
The IUPAC name of 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) is N-[4,6-bis[oxolan-2-ylmethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine.
What is the SMILES notation for N-[4,6-bis[oxolan-2-ylmethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine?
The canonical SMILES for N-[4,6-bis[oxolan-2-ylmethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine is CN1C(C)(C)CC(N(CC2CCCO2)c2nc(NO)nc(N(CC3CCCO3)C3CC(C)(C)N(C)C(C)(C)C3)n2)CC1(C)C.
What is the InChIKey of N-[4,6-bis[oxolan-2-ylmethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine?
The InChIKey is ZHTBDRATFMAPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H60N8O3/c1-30(2)17-23(18-31(3,4)38(30)9)40(21-25-13-11-15-43-25)28-34-27(37-42)35-29(36-28)41(22-26-14-12-16-44-26)24-19-32(5,6)39(10)33(7,8)20-24/h23-26,42H,11-22H2,1-10H3,(H,34,35,36,37).
What are the key properties of N-[4,6-bis[oxolan-2-ylmethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine?
N-[4,6-bis[oxolan-2-ylmethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine has a molecular weight of 616.90 g/mol, XLogP of 4.95, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis[oxolan-2-ylmethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydroxylamine is sourced from PubChem (CID 22902727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).