3-butyl-5,5-diethyl-1,3-diazinane-2,4-dione

C12H22N2O2 — CID 115431328

IUPAC3-butyl-5,5-diethyl-1,3-diazinane-2,4-dione
SMILESCCCCN1C(=O)NCC(CC)(CC)C1=O
InChIInChI=1S/C12H22N2O2/c1-4-7-8-14-10(15)12(5-2,6-3)9-13-11(14)16/h4-9H2,1-3H3,(H,13,16)
InChIKeyGPVSOKOAMWXYOE-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.14
Rot. Bonds5

About 3-butyl-5,5-diethyl-1,3-diazinane-2,4-dione

3-butyl-5,5-diethyl-1,3-diazinane-2,4-dione (PubChem CID 115431328) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-butyl-5,5-diethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-butyl-5,5-diethyl-1,3-diazinane-2,4-dione
PubChem CID115431328
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-butyl-5,5-diethyl-1,3-diazinane-2,4-dione
SMILESCCCCN1C(=O)NCC(CC)(CC)C1=O
InChIInChI=1S/C12H22N2O2/c1-4-7-8-14-10(15)12(5-2,6-3)9-13-11(14)16/h4-9H2,1-3H3,(H,13,16)
InChIKeyGPVSOKOAMWXYOE-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719
3-cyclopentyl-5,5-diethyl-1,3-diazinane-2,4-dione
CID 113308801
4-propyl-9-oxa-2,4-diazaspiro[5.5]undecane-3,5-dione
CID 115440645
3-butyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78924546
3-ethyl-3-propylazetidin-2-one
CID 55286794
5-butyl-3,3-dimethyl-1,2-dihydro-1,5-benzodiazepin-4-one
CID 117015905
7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 11267711
5,5-diethyl-3-(oxolan-3-yl)-1,3-diazinane-2,4-dione
CID 115431325
3-butyl-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61293566
1-dodecyl-3,3-dimethyl-4-methylideneazetidin-2-one
CID 102412122
3,3-diethyl-1-(4-hydroxypentyl)pyrrolidine-2,5-dione
CID 114147564
4-butylmorpholine-3,5-dione
CID 13156567

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5,5-diethyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-butyl-5,5-diethyl-1,3-diazinane-2,4-dione (CID 115431328) is 3-butyl-5,5-diethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-butyl-5,5-diethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-butyl-5,5-diethyl-1,3-diazinane-2,4-dione is CCCCN1C(=O)NCC(CC)(CC)C1=O.
What is the InChIKey of 3-butyl-5,5-diethyl-1,3-diazinane-2,4-dione?
The InChIKey is GPVSOKOAMWXYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-7-8-14-10(15)12(5-2,6-3)9-13-11(14)16/h4-9H2,1-3H3,(H,13,16).
What are the key properties of 3-butyl-5,5-diethyl-1,3-diazinane-2,4-dione?
3-butyl-5,5-diethyl-1,3-diazinane-2,4-dione has a molecular weight of 226.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5,5-diethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 115431328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).