1-tert-butyl-3-methyl-1,3-diazinan-2-one

C9H18N2O — CID 14177971

IUPAC1-tert-butyl-3-methyl-1,3-diazinan-2-one
SMILESCN1CCCN(C(C)(C)C)C1=O
InChIInChI=1S/C9H18N2O/c1-9(2,3)11-7-5-6-10(4)8(11)12/h5-7H2,1-4H3
InChIKeyWLPZOLAGCNDYHZ-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.54
Rot. Bonds

About 1-tert-butyl-3-methyl-1,3-diazinan-2-one

1-tert-butyl-3-methyl-1,3-diazinan-2-one (PubChem CID 14177971) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-methyl-1,3-diazinan-2-one
PubChem CID14177971
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-tert-butyl-3-methyl-1,3-diazinan-2-one
SMILESCN1CCCN(C(C)(C)C)C1=O
InChIInChI=1S/C9H18N2O/c1-9(2,3)11-7-5-6-10(4)8(11)12/h5-7H2,1-4H3
InChIKeyWLPZOLAGCNDYHZ-UHFFFAOYSA-N
XLogP1.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methyl-1,3-diazinan-2-one?
The IUPAC name of 1-tert-butyl-3-methyl-1,3-diazinan-2-one (CID 14177971) is 1-tert-butyl-3-methyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-tert-butyl-3-methyl-1,3-diazinan-2-one?
The canonical SMILES for 1-tert-butyl-3-methyl-1,3-diazinan-2-one is CN1CCCN(C(C)(C)C)C1=O.
What is the InChIKey of 1-tert-butyl-3-methyl-1,3-diazinan-2-one?
The InChIKey is WLPZOLAGCNDYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,3)11-7-5-6-10(4)8(11)12/h5-7H2,1-4H3.
What are the key properties of 1-tert-butyl-3-methyl-1,3-diazinan-2-one?
1-tert-butyl-3-methyl-1,3-diazinan-2-one has a molecular weight of 170.26 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methyl-1,3-diazinan-2-one is sourced from PubChem (CID 14177971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).