1-(4-hydroxy-3,3,5,5-tetramethyl-1,4-diazepan-1-yl)ethanone

C11H22N2O2 — CID 5248304

IUPAC1-(4-hydroxy-3,3,5,5-tetramethyl-1,4-diazepan-1-yl)ethanone
SMILESCC(=O)N1CCC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C11H22N2O2/c1-9(14)12-7-6-10(2,3)13(15)11(4,5)8-12/h15H,6-8H2,1-5H3
InChIKeyNSNFWBVUASRYFE-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.49
Rot. Bonds

About 1-(4-hydroxy-3,3,5,5-tetramethyl-1,4-diazepan-1-yl)ethanone

1-(4-hydroxy-3,3,5,5-tetramethyl-1,4-diazepan-1-yl)ethanone (PubChem CID 5248304) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(4-hydroxy-3,3,5,5-tetramethyl-1,4-diazepan-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-3,3,5,5-tetramethyl-1,4-diazepan-1-yl)ethanone
PubChem CID5248304
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(4-hydroxy-3,3,5,5-tetramethyl-1,4-diazepan-1-yl)ethanone
SMILESCC(=O)N1CCC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C11H22N2O2/c1-9(14)12-7-6-10(2,3)13(15)11(4,5)8-12/h15H,6-8H2,1-5H3
InChIKeyNSNFWBVUASRYFE-UHFFFAOYSA-N
XLogP1.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3,3,5,5-tetramethyl-1,4-diazepan-1-yl)ethanone?
The IUPAC name of 1-(4-hydroxy-3,3,5,5-tetramethyl-1,4-diazepan-1-yl)ethanone (CID 5248304) is 1-(4-hydroxy-3,3,5,5-tetramethyl-1,4-diazepan-1-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-3,3,5,5-tetramethyl-1,4-diazepan-1-yl)ethanone?
The canonical SMILES for 1-(4-hydroxy-3,3,5,5-tetramethyl-1,4-diazepan-1-yl)ethanone is CC(=O)N1CCC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 1-(4-hydroxy-3,3,5,5-tetramethyl-1,4-diazepan-1-yl)ethanone?
The InChIKey is NSNFWBVUASRYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(14)12-7-6-10(2,3)13(15)11(4,5)8-12/h15H,6-8H2,1-5H3.
What are the key properties of 1-(4-hydroxy-3,3,5,5-tetramethyl-1,4-diazepan-1-yl)ethanone?
1-(4-hydroxy-3,3,5,5-tetramethyl-1,4-diazepan-1-yl)ethanone has a molecular weight of 214.31 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3,3,5,5-tetramethyl-1,4-diazepan-1-yl)ethanone is sourced from PubChem (CID 5248304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).