2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine

C34H64N8 — CID 18619905

IUPAC2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
SMILESC=CCNc1nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1
InChIInChI=1S/C34H64N8/c1-14-17-20-41(26-22-31(4,5)39(12)32(6,7)23-26)29-36-28(35-19-16-3)37-30(38-29)42(21-18-15-2)27-24-33(8,9)40(13)34(10,11)25-27/h16,26-27H,3,14-15,17-25H2,1-2,4-13H3,(H,35,36,37,38)
InChIKeyLEQJOZADOVEBCM-UHFFFAOYSA-N
MW584.94 g/mol
LogP6.99
Rot. Bonds13

About 2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine

2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 18619905) has the molecular formula C34H64N8 and a molecular weight of 584.94 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
PubChem CID18619905
Molecular FormulaC34H64N8
Molecular Weight584.94 g/mol
Exact Mass584.53
IUPAC Name2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
SMILESC=CCNc1nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1
InChIInChI=1S/C34H64N8/c1-14-17-20-41(26-22-31(4,5)39(12)32(6,7)23-26)29-36-28(35-19-16-3)37-30(38-29)42(21-18-15-2)27-24-33(8,9)40(13)34(10,11)25-27/h16,26-27H,3,14-15,17-25H2,1-2,4-13H3,(H,35,36,37,38)
InChIKeyLEQJOZADOVEBCM-UHFFFAOYSA-N
XLogP6.99
TPSA63.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.94
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-prop-2-enyl-1,3,5-triazine-2,4,6-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)-6-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine (CID 18619905) is 2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-prop-2-enyl-1,3,5-triazine-2,4,6-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)-6-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine is C=CCNc1nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1.
What is the InChIKey of 2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is LEQJOZADOVEBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H64N8/c1-14-17-20-41(26-22-31(4,5)39(12)32(6,7)23-26)29-36-28(35-19-16-3)37-30(38-29)42(21-18-15-2)27-24-33(8,9)40(13)34(10,11)25-27/h16,26-27H,3,14-15,17-25H2,1-2,4-13H3,(H,35,36,37,38).
What are the key properties of 2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 584.94 g/mol, XLogP of 6.99, 13 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)-6-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 18619905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).