1-(4-butyl-1,3,5-triazin-2-yl)-1-[1-[2-[(4-butyl-1,3,5-triazin-2-yl)-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]amino]propyl]octyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)hydrazine

C45H84N12 — CID 139895250

IUPAC1-(4-butyl-1,3,5-triazin-2-yl)-1-[1-[2-[(4-butyl-1,3,5-triazin-2-yl)-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]amino]propyl]octyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)hydrazine
SMILESCCCCCCCC(CC(C)N(NC1CC(C)(C)N(C)C(C)(C)C1)c1ncnc(CCCC)n1)N(NC1CC(C)(C)N(C)C(C)(C)C1)c1ncnc(CCCC)n1
InChIInChI=1S/C45H84N12/c1-15-18-21-22-23-24-37(57(41-49-33-47-39(51-41)26-20-17-3)53-36-30-44(9,10)55(14)45(11,12)31-36)27-34(4)56(40-48-32-46-38(50-40)25-19-16-2)52-35-28-42(5,6)54(13)43(7,8)29-35/h32-37,52-53H,15-31H2,1-14H3
InChIKeyCUJGTUUZCCWUCB-UHFFFAOYSA-N
MW793.25 g/mol
LogP8.87
Rot. Bonds22

About 1-(4-butyl-1,3,5-triazin-2-yl)-1-[1-[2-[(4-butyl-1,3,5-triazin-2-yl)-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]amino]propyl]octyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)hydrazine

1-(4-butyl-1,3,5-triazin-2-yl)-1-[1-[2-[(4-butyl-1,3,5-triazin-2-yl)-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]amino]propyl]octyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)hydrazine (PubChem CID 139895250) has the molecular formula C45H84N12 and a molecular weight of 793.25 g/mol. Its IUPAC name is 1-(4-butyl-1,3,5-triazin-2-yl)-1-[1-[2-[(4-butyl-1,3,5-triazin-2-yl)-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]amino]propyl]octyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)hydrazine.

Molecular Properties

Compound Name1-(4-butyl-1,3,5-triazin-2-yl)-1-[1-[2-[(4-butyl-1,3,5-triazin-2-yl)-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]amino]propyl]octyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)hydrazine
PubChem CID139895250
Molecular FormulaC45H84N12
Molecular Weight793.25 g/mol
Exact Mass792.69
IUPAC Name1-(4-butyl-1,3,5-triazin-2-yl)-1-[1-[2-[(4-butyl-1,3,5-triazin-2-yl)-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]amino]propyl]octyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)hydrazine
SMILESCCCCCCCC(CC(C)N(NC1CC(C)(C)N(C)C(C)(C)C1)c1ncnc(CCCC)n1)N(NC1CC(C)(C)N(C)C(C)(C)C1)c1ncnc(CCCC)n1
InChIInChI=1S/C45H84N12/c1-15-18-21-22-23-24-37(57(41-49-33-47-39(51-41)26-20-17-3)53-36-30-44(9,10)55(14)45(11,12)31-36)27-34(4)56(40-48-32-46-38(50-40)25-19-16-2)52-35-28-42(5,6)54(13)43(7,8)29-35/h32-37,52-53H,15-31H2,1-14H3
InChIKeyCUJGTUUZCCWUCB-UHFFFAOYSA-N
XLogP8.87
TPSA114.36 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500793.25
LogP ≤ 58.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-(4-butyl-1,3,5-triazin-2-yl)-1-[1-[2-[(4-butyl-1,3,5-triazin-2-yl)-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]amino]propyl]octyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)hydrazine with MolForge

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Related Compounds

4-[5,8-bis[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-8-[2-[2-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]hydrazinyl]hydrazinyl]octyl]-N-butyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 159833461
1-N,1-N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine
CID 141204239
2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-N-(1,3,5-triazin-2-yl)undecane-1,2,4-triamine
CID 141250354
2,4-dioctadecyl-1,3,5-triazine
CID 91537200
1,2,2,6,6-pentamethyl-4-[3-methyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)hexacosan-6-yl]piperidine
CID 141058691
1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine
CID 134316434
6-N-[3-[bis[4-[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]butyl]amino]propyl]-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 161258183
1,2,2,6,6-pentamethyl-4-octoxypiperidine
CID 155074808
2-N,4-N-dibutyl-6-N-[(hexylamino)methyl]-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 58004437
4-[4-[(4-butylphenyl)methoxy]phenyl]-1,2,2,6,6-pentamethylpiperidine
CID 134486589
2-N,4-N-dibutyl-6-N-ethyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 59247834
1,2,2,6,6-pentamethyl-N-[1-(oxiran-2-yl)pentan-2-yl]piperidin-4-amine
CID 88767301

Frequently Asked Questions

What is the IUPAC name of 1-(4-butyl-1,3,5-triazin-2-yl)-1-[1-[2-[(4-butyl-1,3,5-triazin-2-yl)-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]amino]propyl]octyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)hydrazine?
The IUPAC name of 1-(4-butyl-1,3,5-triazin-2-yl)-1-[1-[2-[(4-butyl-1,3,5-triazin-2-yl)-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]amino]propyl]octyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)hydrazine (CID 139895250) is 1-(4-butyl-1,3,5-triazin-2-yl)-1-[1-[2-[(4-butyl-1,3,5-triazin-2-yl)-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]amino]propyl]octyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)hydrazine.
What is the SMILES notation for 1-(4-butyl-1,3,5-triazin-2-yl)-1-[1-[2-[(4-butyl-1,3,5-triazin-2-yl)-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]amino]propyl]octyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)hydrazine?
The canonical SMILES for 1-(4-butyl-1,3,5-triazin-2-yl)-1-[1-[2-[(4-butyl-1,3,5-triazin-2-yl)-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]amino]propyl]octyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)hydrazine is CCCCCCCC(CC(C)N(NC1CC(C)(C)N(C)C(C)(C)C1)c1ncnc(CCCC)n1)N(NC1CC(C)(C)N(C)C(C)(C)C1)c1ncnc(CCCC)n1.
What is the InChIKey of 1-(4-butyl-1,3,5-triazin-2-yl)-1-[1-[2-[(4-butyl-1,3,5-triazin-2-yl)-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]amino]propyl]octyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)hydrazine?
The InChIKey is CUJGTUUZCCWUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H84N12/c1-15-18-21-22-23-24-37(57(41-49-33-47-39(51-41)26-20-17-3)53-36-30-44(9,10)55(14)45(11,12)31-36)27-34(4)56(40-48-32-46-38(50-40)25-19-16-2)52-35-28-42(5,6)54(13)43(7,8)29-35/h32-37,52-53H,15-31H2,1-14H3.
What are the key properties of 1-(4-butyl-1,3,5-triazin-2-yl)-1-[1-[2-[(4-butyl-1,3,5-triazin-2-yl)-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]amino]propyl]octyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)hydrazine?
1-(4-butyl-1,3,5-triazin-2-yl)-1-[1-[2-[(4-butyl-1,3,5-triazin-2-yl)-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]amino]propyl]octyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)hydrazine has a molecular weight of 793.25 g/mol, XLogP of 8.87, 22 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butyl-1,3,5-triazin-2-yl)-1-[1-[2-[(4-butyl-1,3,5-triazin-2-yl)-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]amino]propyl]octyl]-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)hydrazine is sourced from PubChem (CID 139895250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).