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

C42H82N8 — CID 141250354

IUPAC2-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
SMILESCCCCCCCC(CC(CNc1ncncn1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C42H82N8/c1-14-17-20-21-22-23-34(49(24-18-15-2)36-27-39(4,5)47(12)40(6,7)28-36)26-35(31-44-38-45-32-43-33-46-38)50(25-19-16-3)37-29-41(8,9)48(13)42(10,11)30-37/h32-37H,14-31H2,1-13H3,(H,43,44,45,46)
InChIKeyVOCLWOPIRWUTAO-UHFFFAOYSA-N
MW699.17 g/mol
LogP9.28
Rot. Bonds21

About 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

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 (PubChem CID 141250354) has the molecular formula C42H82N8 and a molecular weight of 699.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID141250354
Molecular FormulaC42H82N8
Molecular Weight699.17 g/mol
Exact Mass698.67
IUPAC Name2-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
SMILESCCCCCCCC(CC(CNc1ncncn1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C42H82N8/c1-14-17-20-21-22-23-34(49(24-18-15-2)36-27-39(4,5)47(12)40(6,7)28-36)26-35(31-44-38-45-32-43-33-46-38)50(25-19-16-3)37-29-41(8,9)48(13)42(10,11)30-37/h32-37H,14-31H2,1-13H3,(H,43,44,45,46)
InChIKeyVOCLWOPIRWUTAO-UHFFFAOYSA-N
XLogP9.28
TPSA63.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.17
LogP ≤ 59.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCC(CC(CNc1ncncn1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 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?
The InChIKey is VOCLWOPIRWUTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H82N8/c1-14-17-20-21-22-23-34(49(24-18-15-2)36-27-39(4,5)47(12)40(6,7)28-36)26-35(31-44-38-45-32-43-33-46-38)50(25-19-16-3)37-29-41(8,9)48(13)42(10,11)30-37/h32-37H,14-31H2,1-13H3,(H,43,44,45,46).
What are the key properties of 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?
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 has a molecular weight of 699.17 g/mol, XLogP of 9.28, 21 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141250354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).