methane;1-(2-methylpropyl)-1,3-diazinan-2-one

C9H20N2O — CID 158406358

IUPACmethane;1-(2-methylpropyl)-1,3-diazinan-2-one
SMILESC.CC(C)CN1CCCNC1=O
InChIInChI=1S/C8H16N2O.CH4/c1-7(2)6-10-5-3-4-9-8(10)11;/h7H,3-6H2,1-2H3,(H,9,11);1H4
InChIKeyGYTAKZSXRGHDTA-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.69
Rot. Bonds2

About methane;1-(2-methylpropyl)-1,3-diazinan-2-one

methane;1-(2-methylpropyl)-1,3-diazinan-2-one (PubChem CID 158406358) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is methane;1-(2-methylpropyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Namemethane;1-(2-methylpropyl)-1,3-diazinan-2-one
PubChem CID158406358
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Namemethane;1-(2-methylpropyl)-1,3-diazinan-2-one
SMILESC.CC(C)CN1CCCNC1=O
InChIInChI=1S/C8H16N2O.CH4/c1-7(2)6-10-5-3-4-9-8(10)11;/h7H,3-6H2,1-2H3,(H,9,11);1H4
InChIKeyGYTAKZSXRGHDTA-UHFFFAOYSA-N
XLogP1.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methane;1-(2-methylpropyl)-1,3-diazinan-2-one?
The IUPAC name of methane;1-(2-methylpropyl)-1,3-diazinan-2-one (CID 158406358) is methane;1-(2-methylpropyl)-1,3-diazinan-2-one.
What is the SMILES notation for methane;1-(2-methylpropyl)-1,3-diazinan-2-one?
The canonical SMILES for methane;1-(2-methylpropyl)-1,3-diazinan-2-one is C.CC(C)CN1CCCNC1=O.
What is the InChIKey of methane;1-(2-methylpropyl)-1,3-diazinan-2-one?
The InChIKey is GYTAKZSXRGHDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.CH4/c1-7(2)6-10-5-3-4-9-8(10)11;/h7H,3-6H2,1-2H3,(H,9,11);1H4.
What are the key properties of methane;1-(2-methylpropyl)-1,3-diazinan-2-one?
methane;1-(2-methylpropyl)-1,3-diazinan-2-one has a molecular weight of 172.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(2-methylpropyl)-1,3-diazinan-2-one is sourced from PubChem (CID 158406358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).