N'-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine

C34H64N8O — CID 20609194

IUPACN'-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCCc1nc(N2CCOCC2)nc(N(CCCCCCN(C)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C34H64N8O/c1-11-28-35-29(41-18-20-43-21-19-41)37-30(36-28)42(27-24-33(6,7)39-34(8,9)25-27)17-15-13-12-14-16-40(10)26-22-31(2,3)38-32(4,5)23-26/h26-27,38-39H,11-25H2,1-10H3
InChIKeyYWCOBGLMVLPAKY-UHFFFAOYSA-N
MW600.94 g/mol
LogP5.19
Rot. Bonds12

About N'-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine

N'-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine (PubChem CID 20609194) has the molecular formula C34H64N8O and a molecular weight of 600.94 g/mol. Its IUPAC name is N'-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
PubChem CID20609194
Molecular FormulaC34H64N8O
Molecular Weight600.94 g/mol
Exact Mass600.52
IUPAC NameN'-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCCc1nc(N2CCOCC2)nc(N(CCCCCCN(C)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C34H64N8O/c1-11-28-35-29(41-18-20-43-21-19-41)37-30(36-28)42(27-24-33(6,7)39-34(8,9)25-27)17-15-13-12-14-16-40(10)26-22-31(2,3)38-32(4,5)23-26/h26-27,38-39H,11-25H2,1-10H3
InChIKeyYWCOBGLMVLPAKY-UHFFFAOYSA-N
XLogP5.19
TPSA81.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.94
LogP ≤ 55.19
H-Bond Donors ≤ 52
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-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The IUPAC name of N'-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine (CID 20609194) is N'-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine.
What is the SMILES notation for N'-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The canonical SMILES for N'-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine is CCc1nc(N2CCOCC2)nc(N(CCCCCCN(C)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of N'-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The InChIKey is YWCOBGLMVLPAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H64N8O/c1-11-28-35-29(41-18-20-43-21-19-41)37-30(36-28)42(27-24-33(6,7)39-34(8,9)25-27)17-15-13-12-14-16-40(10)26-22-31(2,3)38-32(4,5)23-26/h26-27,38-39H,11-25H2,1-10H3.
What are the key properties of N'-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
N'-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine has a molecular weight of 600.94 g/mol, XLogP of 5.19, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 20609194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).