1-(2-hydroxy-2-methylpropyl)-3-methyl-1,3-diazinan-2-one

C9H18N2O2 — CID 83817589

IUPAC1-(2-hydroxy-2-methylpropyl)-3-methyl-1,3-diazinan-2-one
SMILESCN1CCCN(CC(C)(C)O)C1=O
InChIInChI=1S/C9H18N2O2/c1-9(2,13)7-11-6-4-5-10(3)8(11)12/h13H,4-7H2,1-3H3
InChIKeyBTVDLXXWQUQLFC-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.51
Rot. Bonds2

About 1-(2-hydroxy-2-methylpropyl)-3-methyl-1,3-diazinan-2-one

1-(2-hydroxy-2-methylpropyl)-3-methyl-1,3-diazinan-2-one (PubChem CID 83817589) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-3-methyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-3-methyl-1,3-diazinan-2-one
PubChem CID83817589
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(2-hydroxy-2-methylpropyl)-3-methyl-1,3-diazinan-2-one
SMILESCN1CCCN(CC(C)(C)O)C1=O
InChIInChI=1S/C9H18N2O2/c1-9(2,13)7-11-6-4-5-10(3)8(11)12/h13H,4-7H2,1-3H3
InChIKeyBTVDLXXWQUQLFC-UHFFFAOYSA-N
XLogP0.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxy-3-methylbutyl)-3-methylimidazolidin-2-one
CID 79361214
1-(2-hydroxy-2-methylpropyl)piperidin-2-one
CID 83816285
1-(2-aminopropyl)-3-methyl-1,3-diazinan-2-one
CID 83816294
1-(3-chloropropyl)-3-methyl-1,3-diazinan-2-one
CID 130722720
2-(3-methyl-2-oxo-1,3-diazinan-1-yl)ethanesulfonyl chloride
CID 23566514
3-(2-hydroxy-2-methylpropyl)-1-methylimidazolidine-2,4-dione
CID 83817541
1,3-dimethyl-1,3-diazepan-2-one
CID 27949
3-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one
CID 83815643
1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 84790835
1-ethyl-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 178098832
zinc;1,3-dimethyl-1,3-diazinan-2-one;bis(trifluoromethane)
CID 162405656
1-(2-hydroxy-2-methylpropyl)-5-methyl-3,6-dihydro-2H-1,5-benzodiazocin-4-one
CID 70655718

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-3-methyl-1,3-diazinan-2-one?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-3-methyl-1,3-diazinan-2-one (CID 83817589) is 1-(2-hydroxy-2-methylpropyl)-3-methyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-3-methyl-1,3-diazinan-2-one?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-3-methyl-1,3-diazinan-2-one is CN1CCCN(CC(C)(C)O)C1=O.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-3-methyl-1,3-diazinan-2-one?
The InChIKey is BTVDLXXWQUQLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,13)7-11-6-4-5-10(3)8(11)12/h13H,4-7H2,1-3H3.
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-3-methyl-1,3-diazinan-2-one?
1-(2-hydroxy-2-methylpropyl)-3-methyl-1,3-diazinan-2-one has a molecular weight of 186.25 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-3-methyl-1,3-diazinan-2-one is sourced from PubChem (CID 83817589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).