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

C11H22N2O — CID 59709243

IUPAC4-tert-butyl-1-propan-2-yl-1,3-diazinan-2-one
SMILESCC(C)N1CCC(C(C)(C)C)NC1=O
InChIInChI=1S/C11H22N2O/c1-8(2)13-7-6-9(11(3,4)5)12-10(13)14/h8-9H,6-7H2,1-5H3,(H,12,14)
InChIKeyUFJRMZYBKHNMNV-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.22
Rot. Bonds1

About 4-tert-butyl-1-propan-2-yl-1,3-diazinan-2-one

4-tert-butyl-1-propan-2-yl-1,3-diazinan-2-one (PubChem CID 59709243) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-tert-butyl-1-propan-2-yl-1,3-diazinan-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-propan-2-yl-1,3-diazinan-2-one
PubChem CID59709243
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-tert-butyl-1-propan-2-yl-1,3-diazinan-2-one
SMILESCC(C)N1CCC(C(C)(C)C)NC1=O
InChIInChI=1S/C11H22N2O/c1-8(2)13-7-6-9(11(3,4)5)12-10(13)14/h8-9H,6-7H2,1-5H3,(H,12,14)
InChIKeyUFJRMZYBKHNMNV-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 11139699
1-Cyclohexyl-3-(1-methylpiperidin-4-yl)urea
CID 6468634
N-cyclohexyl-N'-(1-isopropyl-4-piperidinyl)urea
CID 6466102
N-Isopropyl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3234223
4-Amino-N-methyl-1-piperidinecarboxamide
CID 53256183
1,3-Dimethyl-1-(1-methylpiperidin-4-yl)urea
CID 54043995
3-Methyl-1-(1-methylpiperidin-4-yl)urea
CID 59833286
5-Methyl-5-(2-methylpropyl)-1,3-diazinan-2-one
CID 257063
3-(dimethylamino)-N-(3,3-dimethylbutyl)piperidine-1-carboxamide
CID 72145167
N-propyl-N'-(2,2,6,6-tetramethyl-4-piperidinyl)urea
CID 2277117
2-methyl-N-propylpiperidine-1-carboxamide
CID 6468414

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-propan-2-yl-1,3-diazinan-2-one?
The IUPAC name of 4-tert-butyl-1-propan-2-yl-1,3-diazinan-2-one (CID 59709243) is 4-tert-butyl-1-propan-2-yl-1,3-diazinan-2-one.
What is the SMILES notation for 4-tert-butyl-1-propan-2-yl-1,3-diazinan-2-one?
The canonical SMILES for 4-tert-butyl-1-propan-2-yl-1,3-diazinan-2-one is CC(C)N1CCC(C(C)(C)C)NC1=O.
What is the InChIKey of 4-tert-butyl-1-propan-2-yl-1,3-diazinan-2-one?
The InChIKey is UFJRMZYBKHNMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)13-7-6-9(11(3,4)5)12-10(13)14/h8-9H,6-7H2,1-5H3,(H,12,14).
What are the key properties of 4-tert-butyl-1-propan-2-yl-1,3-diazinan-2-one?
4-tert-butyl-1-propan-2-yl-1,3-diazinan-2-one has a molecular weight of 198.31 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-propan-2-yl-1,3-diazinan-2-one is sourced from PubChem (CID 59709243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).