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

C13H22N2O2 — CID 113308801

IUPAC3-cyclopentyl-5,5-diethyl-1,3-diazinane-2,4-dione
SMILESCCC1(CC)CNC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C13H22N2O2/c1-3-13(4-2)9-14-12(17)15(11(13)16)10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,14,17)
InChIKeyFYVKMWZKDWBVOT-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.29
Rot. Bonds3

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

3-cyclopentyl-5,5-diethyl-1,3-diazinane-2,4-dione (PubChem CID 113308801) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-cyclopentyl-5,5-diethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-cyclopentyl-5,5-diethyl-1,3-diazinane-2,4-dione
PubChem CID113308801
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-cyclopentyl-5,5-diethyl-1,3-diazinane-2,4-dione
SMILESCCC1(CC)CNC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C13H22N2O2/c1-3-13(4-2)9-14-12(17)15(11(13)16)10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,14,17)
InChIKeyFYVKMWZKDWBVOT-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-diethyl-3-(oxolan-3-yl)-1,3-diazinane-2,4-dione
CID 115431325
4-cyclopentyl-2,4-diazaspiro[5.5]undecane-3,5-dione
CID 113309795
1-cycloheptyl-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115946696
4-cyclopropyl-9-methyl-2,4-diazaspiro[5.5]undecane-3,5-dione
CID 113310631
3-butyl-5,5-diethyl-1,3-diazinane-2,4-dione
CID 115431328
8-cyclopentyl-6,8-diazaspiro[3.6]decane-7,9-dione
CID 81167524
1-cyclohexyl-3,3-diethylpiperazine-2,5-dione
CID 64958892
1-cyclopentyl-6-ethyl-3,3,6-trimethylpiperazine-2,5-dione
CID 82936461
3,3-diethyl-1-[4-(methylamino)cyclohexyl]pyrrolidine-2,5-dione
CID 43653792
1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione
CID 64956879
8-cyclobutyl-6,8-diazaspiro[3.6]decane-7,9-dione
CID 116658471
3-cyclohexyl-5,5-diethyl-2-methylidene-1,3-oxazinane-4,6-dione
CID 3044070

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5,5-diethyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-cyclopentyl-5,5-diethyl-1,3-diazinane-2,4-dione (CID 113308801) is 3-cyclopentyl-5,5-diethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-cyclopentyl-5,5-diethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-cyclopentyl-5,5-diethyl-1,3-diazinane-2,4-dione is CCC1(CC)CNC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 3-cyclopentyl-5,5-diethyl-1,3-diazinane-2,4-dione?
The InChIKey is FYVKMWZKDWBVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-13(4-2)9-14-12(17)15(11(13)16)10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,14,17).
What are the key properties of 3-cyclopentyl-5,5-diethyl-1,3-diazinane-2,4-dione?
3-cyclopentyl-5,5-diethyl-1,3-diazinane-2,4-dione has a molecular weight of 238.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5,5-diethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 113308801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).