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

C46H89N9 — CID 20732676

IUPACN'-[[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-methyl-1,3,5-triazin-2-yl]methyl]-N-methyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCCCCN(c1nc(C)nc(CN(CCCCCCN(C)C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C46H89N9/c1-19-20-27-55(38-32-45(11,12)53(18)46(13,14)33-38)40-48-35(2)47-39(49-40)34-54(37-30-43(7,8)52(17)44(9,10)31-37)26-24-22-21-23-25-50(15)36-28-41(3,4)51(16)42(5,6)29-36/h36-38H,19-34H2,1-18H3
InChIKeyKUKKMPRLHAYXGG-UHFFFAOYSA-N
MW768.28 g/mol
LogP9.03
Rot. Bonds16

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

N'-[[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-methyl-1,3,5-triazin-2-yl]methyl]-N-methyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine (PubChem CID 20732676) has the molecular formula C46H89N9 and a molecular weight of 768.28 g/mol. Its IUPAC name is N'-[[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-methyl-1,3,5-triazin-2-yl]methyl]-N-methyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-[[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-methyl-1,3,5-triazin-2-yl]methyl]-N-methyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
PubChem CID20732676
Molecular FormulaC46H89N9
Molecular Weight768.28 g/mol
Exact Mass767.72
IUPAC NameN'-[[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-methyl-1,3,5-triazin-2-yl]methyl]-N-methyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCCCCN(c1nc(C)nc(CN(CCCCCCN(C)C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C46H89N9/c1-19-20-27-55(38-32-45(11,12)53(18)46(13,14)33-38)40-48-35(2)47-39(49-40)34-54(37-30-43(7,8)52(17)44(9,10)31-37)26-24-22-21-23-25-50(15)36-28-41(3,4)51(16)42(5,6)29-36/h36-38H,19-34H2,1-18H3
InChIKeyKUKKMPRLHAYXGG-UHFFFAOYSA-N
XLogP9.03
TPSA58.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.28
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N'-[[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-methyl-1,3,5-triazin-2-yl]methyl]-N-methyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-methyl-1,3,5-triazin-2-yl]methyl]-N-methyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine?
The IUPAC name of N'-[[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-methyl-1,3,5-triazin-2-yl]methyl]-N-methyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine (CID 20732676) is N'-[[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-methyl-1,3,5-triazin-2-yl]methyl]-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-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-methyl-1,3,5-triazin-2-yl]methyl]-N-methyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine?
The canonical SMILES for N'-[[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-methyl-1,3,5-triazin-2-yl]methyl]-N-methyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine is CCCCN(c1nc(C)nc(CN(CCCCCCN(C)C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of N'-[[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-methyl-1,3,5-triazin-2-yl]methyl]-N-methyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine?
The InChIKey is KUKKMPRLHAYXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H89N9/c1-19-20-27-55(38-32-45(11,12)53(18)46(13,14)33-38)40-48-35(2)47-39(49-40)34-54(37-30-43(7,8)52(17)44(9,10)31-37)26-24-22-21-23-25-50(15)36-28-41(3,4)51(16)42(5,6)29-36/h36-38H,19-34H2,1-18H3.
What are the key properties of N'-[[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-methyl-1,3,5-triazin-2-yl]methyl]-N-methyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine?
N'-[[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-methyl-1,3,5-triazin-2-yl]methyl]-N-methyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine has a molecular weight of 768.28 g/mol, XLogP of 9.03, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-methyl-1,3,5-triazin-2-yl]methyl]-N-methyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 20732676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).