2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide

C11H22N2O2 — CID 116637269

IUPAC2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCCCCC1CO
InChIInChI=1S/C11H22N2O2/c1-12(2)11(15)8-13-7-5-3-4-6-10(13)9-14/h10,14H,3-9H2,1-2H3
InChIKeyYNBFVGBHQAZQIP-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.31
Rot. Bonds3

About 2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide

2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide (PubChem CID 116637269) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide
PubChem CID116637269
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCCCCC1CO
InChIInChI=1S/C11H22N2O2/c1-12(2)11(15)8-13-7-5-3-4-6-10(13)9-14/h10,14H,3-9H2,1-2H3
InChIKeyYNBFVGBHQAZQIP-UHFFFAOYSA-N
XLogP0.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
CID 60684649
2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60684693
N,N-diethyl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62733674
1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635350
N-cyclohexyl-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942251
2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-(4-methylpentan-2-yl)acetamide
CID 110898913
N,N-dimethyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546567
2-[2-(3-methoxypropyl)piperidin-1-yl]-N,N-dimethylacetamide
CID 134711652
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 78942501
N,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847147
N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 78942608
2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684574

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide (CID 116637269) is 2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCCCCC1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide?
The InChIKey is YNBFVGBHQAZQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-12(2)11(15)8-13-7-5-3-4-6-10(13)9-14/h10,14H,3-9H2,1-2H3.
What are the key properties of 2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide?
2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide has a molecular weight of 214.31 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 116637269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).