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

C36H68N8O — CID 20732685

IUPACN-methyl-N'-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCc1nc(CN(CCCCCCN(C)C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C36H68N8O/c1-28-37-31(39-32(38-28)43-19-21-45-22-20-43)27-44(30-25-35(6,7)42(12)36(8,9)26-30)18-16-14-13-15-17-40(10)29-23-33(2,3)41(11)34(4,5)24-29/h29-30H,13-27H2,1-12H3
InChIKeyLQGQODKLBBUIMV-UHFFFAOYSA-N
MW629.00 g/mol
LogP5.61
Rot. Bonds12

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

N-methyl-N'-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine (PubChem CID 20732685) has the molecular formula C36H68N8O and a molecular weight of 629.00 g/mol. Its IUPAC name is N-methyl-N'-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN-methyl-N'-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
PubChem CID20732685
Molecular FormulaC36H68N8O
Molecular Weight629.00 g/mol
Exact Mass628.55
IUPAC NameN-methyl-N'-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCc1nc(CN(CCCCCCN(C)C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C36H68N8O/c1-28-37-31(39-32(38-28)43-19-21-45-22-20-43)27-44(30-25-35(6,7)42(12)36(8,9)26-30)18-16-14-13-15-17-40(10)29-23-33(2,3)41(11)34(4,5)24-29/h29-30H,13-27H2,1-12H3
InChIKeyLQGQODKLBBUIMV-UHFFFAOYSA-N
XLogP5.61
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 ≤ 55.61
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-methyl-N'-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine?
The IUPAC name of N-methyl-N'-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine (CID 20732685) is N-methyl-N'-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine.
What is the SMILES notation for N-methyl-N'-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine?
The canonical SMILES for N-methyl-N'-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine is Cc1nc(CN(CCCCCCN(C)C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)nc(N2CCOCC2)n1.
What is the InChIKey of N-methyl-N'-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine?
The InChIKey is LQGQODKLBBUIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H68N8O/c1-28-37-31(39-32(38-28)43-19-21-45-22-20-43)27-44(30-25-35(6,7)42(12)36(8,9)26-30)18-16-14-13-15-17-40(10)29-23-33(2,3)41(11)34(4,5)24-29/h29-30H,13-27H2,1-12H3.
What are the key properties of N-methyl-N'-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine?
N-methyl-N'-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)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 5.61, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 20732685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).