2,2,6,6-tetramethyl-4-propyl-1,4-diazepan-5-one

C12H24N2O — CID 117023599

IUPAC2,2,6,6-tetramethyl-4-propyl-1,4-diazepan-5-one
SMILESCCCN1CC(C)(C)NCC(C)(C)C1=O
InChIInChI=1S/C12H24N2O/c1-6-7-14-9-12(4,5)13-8-11(2,3)10(14)15/h13H,6-9H2,1-5H3
InChIKeyUMAGTQSIFXECKE-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds2

About 2,2,6,6-tetramethyl-4-propyl-1,4-diazepan-5-one

2,2,6,6-tetramethyl-4-propyl-1,4-diazepan-5-one (PubChem CID 117023599) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-propyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-propyl-1,4-diazepan-5-one
PubChem CID117023599
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2,2,6,6-tetramethyl-4-propyl-1,4-diazepan-5-one
SMILESCCCN1CC(C)(C)NCC(C)(C)C1=O
InChIInChI=1S/C12H24N2O/c1-6-7-14-9-12(4,5)13-8-11(2,3)10(14)15/h13H,6-9H2,1-5H3
InChIKeyUMAGTQSIFXECKE-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dimethyl-3-propylimidazolidin-4-one
CID 83694724
5-ethyl-5-methyl-3-propylimidazolidin-4-one
CID 83242935
4-cyclopropyl-2,2,6,6-tetramethyl-1,4-diazepan-5-one
CID 117023601
3,3,6,6-tetramethyl-4-propyl-1,4-diazepan-5-one
CID 117023521
3,3,5,5-tetramethyl-1-[2-(propylamino)ethyl]piperazin-2-one
CID 67926945
3,3-dimethyl-1-propylpiperazine-2,5-dione
CID 64881118
5-[(tert-butylamino)methyl]-3,3,5-trimethyl-1-propylpiperazin-2-one
CID 134907887
4-butyl-3,3,7,7-tetramethyl-1,4-diazepan-5-one
CID 117023564
8,8-dimethyl-6-propyl-6,9-diazaspiro[4.5]decane
CID 64840920
1-ethyl-4,4-dimethylimidazolidin-2-one;molecular hydrogen
CID 142810063
1-propyl-1,3-diazinane-2,5-dione
CID 155748543
3,3,5,5-tetramethyl-1-[3-[4-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propoxy]butoxy]propyl]piperazin-2-one
CID 59109305

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-propyl-1,4-diazepan-5-one?
The IUPAC name of 2,2,6,6-tetramethyl-4-propyl-1,4-diazepan-5-one (CID 117023599) is 2,2,6,6-tetramethyl-4-propyl-1,4-diazepan-5-one.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-propyl-1,4-diazepan-5-one?
The canonical SMILES for 2,2,6,6-tetramethyl-4-propyl-1,4-diazepan-5-one is CCCN1CC(C)(C)NCC(C)(C)C1=O.
What is the InChIKey of 2,2,6,6-tetramethyl-4-propyl-1,4-diazepan-5-one?
The InChIKey is UMAGTQSIFXECKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-6-7-14-9-12(4,5)13-8-11(2,3)10(14)15/h13H,6-9H2,1-5H3.
What are the key properties of 2,2,6,6-tetramethyl-4-propyl-1,4-diazepan-5-one?
2,2,6,6-tetramethyl-4-propyl-1,4-diazepan-5-one has a molecular weight of 212.34 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-propyl-1,4-diazepan-5-one is sourced from PubChem (CID 117023599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).