1-tert-butyl-3-propan-2-yl-1,3-diazinan-2-one

C11H22N2O — CID 131992272

IUPAC1-tert-butyl-3-propan-2-yl-1,3-diazinan-2-one
SMILESCC(C)N1CCCN(C(C)(C)C)C1=O
InChIInChI=1S/C11H22N2O/c1-9(2)12-7-6-8-13(10(12)14)11(3,4)5/h9H,6-8H2,1-5H3
InChIKeyRTLPSLRTPPSKHJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.32
Rot. Bonds1

About 1-tert-butyl-3-propan-2-yl-1,3-diazinan-2-one

1-tert-butyl-3-propan-2-yl-1,3-diazinan-2-one (PubChem CID 131992272) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-tert-butyl-3-propan-2-yl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-propan-2-yl-1,3-diazinan-2-one
PubChem CID131992272
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-tert-butyl-3-propan-2-yl-1,3-diazinan-2-one
SMILESCC(C)N1CCCN(C(C)(C)C)C1=O
InChIInChI=1S/C11H22N2O/c1-9(2)12-7-6-8-13(10(12)14)11(3,4)5/h9H,6-8H2,1-5H3
InChIKeyRTLPSLRTPPSKHJ-UHFFFAOYSA-N
XLogP2.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.32
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-propan-2-yl-1,3-diazinan-2-one?
The IUPAC name of 1-tert-butyl-3-propan-2-yl-1,3-diazinan-2-one (CID 131992272) is 1-tert-butyl-3-propan-2-yl-1,3-diazinan-2-one.
What is the SMILES notation for 1-tert-butyl-3-propan-2-yl-1,3-diazinan-2-one?
The canonical SMILES for 1-tert-butyl-3-propan-2-yl-1,3-diazinan-2-one is CC(C)N1CCCN(C(C)(C)C)C1=O.
What is the InChIKey of 1-tert-butyl-3-propan-2-yl-1,3-diazinan-2-one?
The InChIKey is RTLPSLRTPPSKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)12-7-6-8-13(10(12)14)11(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 1-tert-butyl-3-propan-2-yl-1,3-diazinan-2-one?
1-tert-butyl-3-propan-2-yl-1,3-diazinan-2-one has a molecular weight of 198.31 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-propan-2-yl-1,3-diazinan-2-one is sourced from PubChem (CID 131992272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).