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

C39H74N8O — CID 126496978

IUPACN'-butan-2-yl-N-(4-butan-2-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCCC(C)c1nc(N2CCOCC2)nc(N(CCCCCCN(C(C)CC)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C39H74N8O/c1-13-29(3)33-40-34(45-21-23-48-24-22-45)42-35(41-33)47(32-27-38(9,10)44-39(11,12)28-32)20-18-16-15-17-19-46(30(4)14-2)31-25-36(5,6)43-37(7,8)26-31/h29-32,43-44H,13-28H2,1-12H3
InChIKeyDDLUGSRKUGWHPE-UHFFFAOYSA-N
MW671.08 g/mol
LogP7.31
Rot. Bonds15

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

N'-butan-2-yl-N-(4-butan-2-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine (PubChem CID 126496978) has the molecular formula C39H74N8O and a molecular weight of 671.08 g/mol. Its IUPAC name is N'-butan-2-yl-N-(4-butan-2-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N-(4-butan-2-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
PubChem CID126496978
Molecular FormulaC39H74N8O
Molecular Weight671.08 g/mol
Exact Mass670.60
IUPAC NameN'-butan-2-yl-N-(4-butan-2-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCCC(C)c1nc(N2CCOCC2)nc(N(CCCCCCN(C(C)CC)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C39H74N8O/c1-13-29(3)33-40-34(45-21-23-48-24-22-45)42-35(41-33)47(32-27-38(9,10)44-39(11,12)28-32)20-18-16-15-17-19-46(30(4)14-2)31-25-36(5,6)43-37(7,8)26-31/h29-32,43-44H,13-28H2,1-12H3
InChIKeyDDLUGSRKUGWHPE-UHFFFAOYSA-N
XLogP7.31
TPSA81.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.08
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N'-butan-2-yl-N-(4-butan-2-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-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'-butan-2-yl-N-(4-butan-2-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The IUPAC name of N'-butan-2-yl-N-(4-butan-2-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine (CID 126496978) is N'-butan-2-yl-N-(4-butan-2-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine.
What is the SMILES notation for N'-butan-2-yl-N-(4-butan-2-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The canonical SMILES for N'-butan-2-yl-N-(4-butan-2-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine is CCC(C)c1nc(N2CCOCC2)nc(N(CCCCCCN(C(C)CC)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of N'-butan-2-yl-N-(4-butan-2-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The InChIKey is DDLUGSRKUGWHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H74N8O/c1-13-29(3)33-40-34(45-21-23-48-24-22-45)42-35(41-33)47(32-27-38(9,10)44-39(11,12)28-32)20-18-16-15-17-19-46(30(4)14-2)31-25-36(5,6)43-37(7,8)26-31/h29-32,43-44H,13-28H2,1-12H3.
What are the key properties of N'-butan-2-yl-N-(4-butan-2-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
N'-butan-2-yl-N-(4-butan-2-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine has a molecular weight of 671.08 g/mol, XLogP of 7.31, 15 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-(4-butan-2-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 126496978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).