3-(methoxymethyl)azepane-1-carboxamide

C9H18N2O2 — CID 130671584

IUPAC3-(methoxymethyl)azepane-1-carboxamide
SMILESCOCC1CCCCN(C(N)=O)C1
InChIInChI=1S/C9H18N2O2/c1-13-7-8-4-2-3-5-11(6-8)9(10)12/h8H,2-7H2,1H3,(H2,10,12)
InChIKeyDXTKXYQKHOXODS-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.81
Rot. Bonds2

About 3-(methoxymethyl)azepane-1-carboxamide

3-(methoxymethyl)azepane-1-carboxamide (PubChem CID 130671584) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(methoxymethyl)azepane-1-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)azepane-1-carboxamide
PubChem CID130671584
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-(methoxymethyl)azepane-1-carboxamide
SMILESCOCC1CCCCN(C(N)=O)C1
InChIInChI=1S/C9H18N2O2/c1-13-7-8-4-2-3-5-11(6-8)9(10)12/h8H,2-7H2,1H3,(H2,10,12)
InChIKeyDXTKXYQKHOXODS-UHFFFAOYSA-N
XLogP0.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586477
2-amino-2-ethyl-1-[3-(methoxymethyl)piperidin-1-yl]butan-1-one
CID 106586761
(3-aminocyclopentyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103810664
N'-amino-3-(methoxymethyl)piperidine-1-carboximidamide
CID 106587306
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 143842263
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119322528
3-propylpiperidine-1-carboxamide
CID 18466872
(1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586736
2-amino-2-cyclopropyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 103821153
3-(aminomethyl)piperidine-1-carboxamide;hydrochloride
CID 119031368
3-(methylaminomethyl)piperidine-1-carboxamide
CID 61204552

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)azepane-1-carboxamide?
The IUPAC name of 3-(methoxymethyl)azepane-1-carboxamide (CID 130671584) is 3-(methoxymethyl)azepane-1-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)azepane-1-carboxamide?
The canonical SMILES for 3-(methoxymethyl)azepane-1-carboxamide is COCC1CCCCN(C(N)=O)C1.
What is the InChIKey of 3-(methoxymethyl)azepane-1-carboxamide?
The InChIKey is DXTKXYQKHOXODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-13-7-8-4-2-3-5-11(6-8)9(10)12/h8H,2-7H2,1H3,(H2,10,12).
What are the key properties of 3-(methoxymethyl)azepane-1-carboxamide?
3-(methoxymethyl)azepane-1-carboxamide has a molecular weight of 186.25 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)azepane-1-carboxamide is sourced from PubChem (CID 130671584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).