1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one

C12H23NO2 — CID 167776443

IUPAC1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
SMILESCCC1CCCCCN1C(=O)CCOC
InChIInChI=1S/C12H23NO2/c1-3-11-7-5-4-6-9-13(11)12(14)8-10-15-2/h11H,3-10H2,1-2H3
InChIKeyLSOFYJFMVXODPC-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.20
Rot. Bonds4

About 1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one

1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one (PubChem CID 167776443) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
PubChem CID167776443
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
SMILESCCC1CCCCCN1C(=O)CCOC
InChIInChI=1S/C12H23NO2/c1-3-11-7-5-4-6-9-13(11)12(14)8-10-15-2/h11H,3-10H2,1-2H3
InChIKeyLSOFYJFMVXODPC-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one
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3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 890408
1-(2-ethylpiperidin-1-yl)pentan-1-one
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2-[2-(2-ethylazepan-1-yl)-2-oxoethoxy]acetic acid
CID 104689142
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-[2-(hydroxymethyl)azepan-1-yl]-4-methoxybutan-1-one
CID 116635836
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one
CID 150449781
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6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid
CID 43447225

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one?
The IUPAC name of 1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one (CID 167776443) is 1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one.
What is the SMILES notation for 1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one?
The canonical SMILES for 1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one is CCC1CCCCCN1C(=O)CCOC.
What is the InChIKey of 1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one?
The InChIKey is LSOFYJFMVXODPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-11-7-5-4-6-9-13(11)12(14)8-10-15-2/h11H,3-10H2,1-2H3.
What are the key properties of 1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one?
1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one has a molecular weight of 213.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one is sourced from PubChem (CID 167776443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).