N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexane-1,6-diamine

C30H55N7O2-2 — CID 21026684

IUPACN'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexane-1,6-diamine
SMILESCc1nc(C)nc(N(CCCCCCN(C)C2CC(C)(C)N([O-])C(C)(C)C2)C2CC(C)(C)N([O-])C(C)(C)C2)n1
InChIInChI=1S/C30H55N7O2/c1-22-31-23(2)33-26(32-22)35(25-20-29(7,8)37(39)30(9,10)21-25)17-15-13-12-14-16-34(11)24-18-27(3,4)36(38)28(5,6)19-24/h24-25H,12-21H2,1-11H3/q-2
InChIKeyOLHARIOPAVGRBY-UHFFFAOYSA-N
MW545.82 g/mol
LogP5.83
Rot. Bonds10

About N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexane-1,6-diamine

N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexane-1,6-diamine (PubChem CID 21026684) has the molecular formula C30H55N7O2-2 and a molecular weight of 545.82 g/mol. Its IUPAC name is N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexane-1,6-diamine
PubChem CID21026684
Molecular FormulaC30H55N7O2-2
Molecular Weight545.82 g/mol
Exact Mass545.44
IUPAC NameN'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexane-1,6-diamine
SMILESCc1nc(C)nc(N(CCCCCCN(C)C2CC(C)(C)N([O-])C(C)(C)C2)C2CC(C)(C)N([O-])C(C)(C)C2)n1
InChIInChI=1S/C30H55N7O2/c1-22-31-23(2)33-26(32-22)35(25-20-29(7,8)37(39)30(9,10)21-25)17-15-13-12-14-16-34(11)24-18-27(3,4)36(38)28(5,6)19-24/h24-25H,12-21H2,1-11H3/q-2
InChIKeyOLHARIOPAVGRBY-UHFFFAOYSA-N
XLogP5.83
TPSA97.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.82
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexane-1,6-diamine?
The IUPAC name of N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexane-1,6-diamine (CID 21026684) is N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexane-1,6-diamine.
What is the SMILES notation for N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexane-1,6-diamine?
The canonical SMILES for N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexane-1,6-diamine is Cc1nc(C)nc(N(CCCCCCN(C)C2CC(C)(C)N([O-])C(C)(C)C2)C2CC(C)(C)N([O-])C(C)(C)C2)n1.
What is the InChIKey of N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexane-1,6-diamine?
The InChIKey is OLHARIOPAVGRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H55N7O2/c1-22-31-23(2)33-26(32-22)35(25-20-29(7,8)37(39)30(9,10)21-25)17-15-13-12-14-16-34(11)24-18-27(3,4)36(38)28(5,6)19-24/h24-25H,12-21H2,1-11H3/q-2.
What are the key properties of N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexane-1,6-diamine?
N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexane-1,6-diamine has a molecular weight of 545.82 g/mol, XLogP of 5.83, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethyl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 21026684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).