1-[2-[[4-(dibutylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione

C34H59N9O4 — CID 20741640

IUPAC1-[2-[[4-(dibutylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione
SMILESCCCCN(CCCC)c1nc(C)nc(N(CCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)CCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)n1
InChIInChI=1S/C34H59N9O4/c1-14-16-18-40(19-17-15-2)29-35-24(3)36-30(37-29)41(20-22-42-25(44)31(4,5)38(12)32(6,7)26(42)45)21-23-43-27(46)33(8,9)39(13)34(10,11)28(43)47/h14-23H2,1-13H3
InChIKeyDVKMYCJHORFJPS-UHFFFAOYSA-N
MW657.90 g/mol
LogP3.11
Rot. Bonds14

About 1-[2-[[4-(dibutylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione

1-[2-[[4-(dibutylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione (PubChem CID 20741640) has the molecular formula C34H59N9O4 and a molecular weight of 657.90 g/mol. Its IUPAC name is 1-[2-[[4-(dibutylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione.

Molecular Properties

Compound Name1-[2-[[4-(dibutylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione
PubChem CID20741640
Molecular FormulaC34H59N9O4
Molecular Weight657.90 g/mol
Exact Mass657.47
IUPAC Name1-[2-[[4-(dibutylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione
SMILESCCCCN(CCCC)c1nc(C)nc(N(CCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)CCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)n1
InChIInChI=1S/C34H59N9O4/c1-14-16-18-40(19-17-15-2)29-35-24(3)36-30(37-29)41(20-22-42-25(44)31(4,5)38(12)32(6,7)26(42)45)21-23-43-27(46)33(8,9)39(13)34(10,11)28(43)47/h14-23H2,1-13H3
InChIKeyDVKMYCJHORFJPS-UHFFFAOYSA-N
XLogP3.11
TPSA126.39 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.90
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 1-[2-[[4-(dibutylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(dibutylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione?
The IUPAC name of 1-[2-[[4-(dibutylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione (CID 20741640) is 1-[2-[[4-(dibutylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione.
What is the SMILES notation for 1-[2-[[4-(dibutylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione?
The canonical SMILES for 1-[2-[[4-(dibutylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione is CCCCN(CCCC)c1nc(C)nc(N(CCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)CCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)n1.
What is the InChIKey of 1-[2-[[4-(dibutylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione?
The InChIKey is DVKMYCJHORFJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H59N9O4/c1-14-16-18-40(19-17-15-2)29-35-24(3)36-30(37-29)41(20-22-42-25(44)31(4,5)38(12)32(6,7)26(42)45)21-23-43-27(46)33(8,9)39(13)34(10,11)28(43)47/h14-23H2,1-13H3.
What are the key properties of 1-[2-[[4-(dibutylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione?
1-[2-[[4-(dibutylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione has a molecular weight of 657.90 g/mol, XLogP of 3.11, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(dibutylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione is sourced from PubChem (CID 20741640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).