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

C36H68N8O — CID 23542936

IUPACN'-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCCc1nc(N2CCOCC2)nc(N(CCCCCCN(C)C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)n1
InChIInChI=1S/C36H68N8O/c1-13-30-37-31(43-20-22-45-23-21-43)39-32(38-30)44(29-26-35(6,7)42(12)36(8,9)27-29)19-17-15-14-16-18-40(10)28-24-33(2,3)41(11)34(4,5)25-28/h28-29H,13-27H2,1-12H3
InChIKeyJLVIUMLCQDXFCF-UHFFFAOYSA-N
MW629.00 g/mol
LogP5.87
Rot. Bonds12

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

N'-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine (PubChem CID 23542936) has the molecular formula C36H68N8O and a molecular weight of 629.00 g/mol. Its IUPAC name is N'-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-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(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
PubChem CID23542936
Molecular FormulaC36H68N8O
Molecular Weight629.00 g/mol
Exact Mass628.55
IUPAC NameN'-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCCc1nc(N2CCOCC2)nc(N(CCCCCCN(C)C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)n1
InChIInChI=1S/C36H68N8O/c1-13-30-37-31(43-20-22-45-23-21-43)39-32(38-30)44(29-26-35(6,7)42(12)36(8,9)27-29)19-17-15-14-16-18-40(10)28-24-33(2,3)41(11)34(4,5)25-28/h28-29H,13-27H2,1-12H3
InChIKeyJLVIUMLCQDXFCF-UHFFFAOYSA-N
XLogP5.87
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.00
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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(1,2,2,6,6-pentamethylpiperidin-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(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine (CID 23542936) is N'-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-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(1,2,2,6,6-pentamethylpiperidin-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(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine is CCc1nc(N2CCOCC2)nc(N(CCCCCCN(C)C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(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(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine?
The InChIKey is JLVIUMLCQDXFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H68N8O/c1-13-30-37-31(43-20-22-45-23-21-43)39-32(38-30)44(29-26-35(6,7)42(12)36(8,9)27-29)19-17-15-14-16-18-40(10)28-24-33(2,3)41(11)34(4,5)25-28/h28-29H,13-27H2,1-12H3.
What are the key properties of N'-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine?
N'-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-methyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine has a molecular weight of 629.00 g/mol, XLogP of 5.87, 12 rotatable bonds, 0 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(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 23542936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).