ethane;1,3,5-trimethyl-1,3-diazinan-2-one

C9H20N2O — CID 154694196

IUPACethane;1,3,5-trimethyl-1,3-diazinan-2-one
SMILESCC.CC1CN(C)C(=O)N(C)C1
InChIInChI=1S/C7H14N2O.C2H6/c1-6-4-8(2)7(10)9(3)5-6;1-2/h6H,4-5H2,1-3H3;1-2H3
InChIKeyBDPVKENSYQMVGJ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.65
Rot. Bonds

About ethane;1,3,5-trimethyl-1,3-diazinan-2-one

ethane;1,3,5-trimethyl-1,3-diazinan-2-one (PubChem CID 154694196) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is ethane;1,3,5-trimethyl-1,3-diazinan-2-one.

Molecular Properties

Compound Nameethane;1,3,5-trimethyl-1,3-diazinan-2-one
PubChem CID154694196
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Nameethane;1,3,5-trimethyl-1,3-diazinan-2-one
SMILESCC.CC1CN(C)C(=O)N(C)C1
InChIInChI=1S/C7H14N2O.C2H6/c1-6-4-8(2)7(10)9(3)5-6;1-2/h6H,4-5H2,1-3H3;1-2H3
InChIKeyBDPVKENSYQMVGJ-UHFFFAOYSA-N
XLogP1.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-dimethyl-1,3-diazinan-2-one
CID 51000285
(5S)-1-[(1R)-cyclohex-2-en-1-yl]-3,5-dimethyl-1,3-diazinan-2-one
CID 124672563
1-cyclohex-2-en-1-yl-3,5-dimethyl-1,3-diazinan-2-one
CID 90359164
1,3-dimethylimidazolidin-2-one;hydrate
CID 68782599
1,3-dimethyl-1,3-diazepan-2-one
CID 27949
4-ethyl-1,3-dimethylimidazolidin-2-one
CID 18386713
1,3-dimethyl-5-propan-2-yl-1,3,5-triazinan-2-one
CID 15395303
1,4-dimethyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one
CID 134297864
1,3-dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one)
CID 160661672
4-ethynyl-1,3-dimethylimidazolidin-2-one
CID 88889577
1,3-dimethylpyrrolidin-2-one;ethane
CID 142056309
1,3,5,6-tetramethyl-3,4-dihydro-2H-pyridine
CID 137423387

Frequently Asked Questions

What is the IUPAC name of ethane;1,3,5-trimethyl-1,3-diazinan-2-one?
The IUPAC name of ethane;1,3,5-trimethyl-1,3-diazinan-2-one (CID 154694196) is ethane;1,3,5-trimethyl-1,3-diazinan-2-one.
What is the SMILES notation for ethane;1,3,5-trimethyl-1,3-diazinan-2-one?
The canonical SMILES for ethane;1,3,5-trimethyl-1,3-diazinan-2-one is CC.CC1CN(C)C(=O)N(C)C1.
What is the InChIKey of ethane;1,3,5-trimethyl-1,3-diazinan-2-one?
The InChIKey is BDPVKENSYQMVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C2H6/c1-6-4-8(2)7(10)9(3)5-6;1-2/h6H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;1,3,5-trimethyl-1,3-diazinan-2-one?
ethane;1,3,5-trimethyl-1,3-diazinan-2-one has a molecular weight of 172.27 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,5-trimethyl-1,3-diazinan-2-one is sourced from PubChem (CID 154694196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).