1-(7-methyloctyl)-1,3-diazinane-2,4-dione

C13H24N2O2 — CID 114004462

IUPAC1-(7-methyloctyl)-1,3-diazinane-2,4-dione
SMILESCC(C)CCCCCCN1CCC(=O)NC1=O
InChIInChI=1S/C13H24N2O2/c1-11(2)7-5-3-4-6-9-15-10-8-12(16)14-13(15)17/h11H,3-10H2,1-2H3,(H,14,16,17)
InChIKeyKVZLJKXFNQVUGX-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.53
Rot. Bonds7

About 1-(7-methyloctyl)-1,3-diazinane-2,4-dione

1-(7-methyloctyl)-1,3-diazinane-2,4-dione (PubChem CID 114004462) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(7-methyloctyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(7-methyloctyl)-1,3-diazinane-2,4-dione
PubChem CID114004462
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(7-methyloctyl)-1,3-diazinane-2,4-dione
SMILESCC(C)CCCCCCN1CCC(=O)NC1=O
InChIInChI=1S/C13H24N2O2/c1-11(2)7-5-3-4-6-9-15-10-8-12(16)14-13(15)17/h11H,3-10H2,1-2H3,(H,14,16,17)
InChIKeyKVZLJKXFNQVUGX-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-1,3-diazinane-2,4-dione
CID 77019056
(2S)-2-amino-6-(2,4-dioxo-1,3-diazinan-1-yl)hexanoic acid
CID 101112605
3,3-diethyl-1-(5-methylhexyl)-1,4-diazepane-2,5-dione
CID 115327206
1-(5-methylhexyl)pyrrolidine-2,3-dione
CID 115325851
1-(5-methylhexyl)imidazolidin-2-one
CID 115370813
3-butan-2-yl-1-(5-methylhexyl)-1,4-diazepane-2,5-dione
CID 115327141
1-[5-[2-(1-phenylethyl)hydrazinyl]pentyl]-1,3-diazinane-2,4-dione
CID 142360603
3-(2,4-dioxo-1,3-diazinan-1-yl)propanoic acid
CID 13085943
1-methyl-3-(5-methylhexyl)imidazolidin-2-one
CID 167272324
9-(7-methyloctyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107818476
3-bromo-1-(5-methylhexyl)pyrrolidin-2-one
CID 115326986
1-(3,3-difluorobutyl)-1,3-diazinane-2,4-dione
CID 130679018

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyloctyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(7-methyloctyl)-1,3-diazinane-2,4-dione (CID 114004462) is 1-(7-methyloctyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(7-methyloctyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(7-methyloctyl)-1,3-diazinane-2,4-dione is CC(C)CCCCCCN1CCC(=O)NC1=O.
What is the InChIKey of 1-(7-methyloctyl)-1,3-diazinane-2,4-dione?
The InChIKey is KVZLJKXFNQVUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(2)7-5-3-4-6-9-15-10-8-12(16)14-13(15)17/h11H,3-10H2,1-2H3,(H,14,16,17).
What are the key properties of 1-(7-methyloctyl)-1,3-diazinane-2,4-dione?
1-(7-methyloctyl)-1,3-diazinane-2,4-dione has a molecular weight of 240.35 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyloctyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 114004462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).