1-ethoxy-3-[1-(methylamino)cyclohexyl]propan-2-one

C12H23NO2 — CID 116575344

IUPAC1-ethoxy-3-[1-(methylamino)cyclohexyl]propan-2-one
SMILESCCOCC(=O)CC1(NC)CCCCC1
InChIInChI=1S/C12H23NO2/c1-3-15-10-11(14)9-12(13-2)7-5-4-6-8-12/h13H,3-10H2,1-2H3
InChIKeyWBKWOPGMTPYBFC-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.90
Rot. Bonds6

About 1-ethoxy-3-[1-(methylamino)cyclohexyl]propan-2-one

1-ethoxy-3-[1-(methylamino)cyclohexyl]propan-2-one (PubChem CID 116575344) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-ethoxy-3-[1-(methylamino)cyclohexyl]propan-2-one.

Molecular Properties

Compound Name1-ethoxy-3-[1-(methylamino)cyclohexyl]propan-2-one
PubChem CID116575344
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-ethoxy-3-[1-(methylamino)cyclohexyl]propan-2-one
SMILESCCOCC(=O)CC1(NC)CCCCC1
InChIInChI=1S/C12H23NO2/c1-3-15-10-11(14)9-12(13-2)7-5-4-6-8-12/h13H,3-10H2,1-2H3
InChIKeyWBKWOPGMTPYBFC-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[1-(methylamino)cyclohexyl]propan-2-one?
The IUPAC name of 1-ethoxy-3-[1-(methylamino)cyclohexyl]propan-2-one (CID 116575344) is 1-ethoxy-3-[1-(methylamino)cyclohexyl]propan-2-one.
What is the SMILES notation for 1-ethoxy-3-[1-(methylamino)cyclohexyl]propan-2-one?
The canonical SMILES for 1-ethoxy-3-[1-(methylamino)cyclohexyl]propan-2-one is CCOCC(=O)CC1(NC)CCCCC1.
What is the InChIKey of 1-ethoxy-3-[1-(methylamino)cyclohexyl]propan-2-one?
The InChIKey is WBKWOPGMTPYBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-15-10-11(14)9-12(13-2)7-5-4-6-8-12/h13H,3-10H2,1-2H3.
What are the key properties of 1-ethoxy-3-[1-(methylamino)cyclohexyl]propan-2-one?
1-ethoxy-3-[1-(methylamino)cyclohexyl]propan-2-one has a molecular weight of 213.32 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[1-(methylamino)cyclohexyl]propan-2-one is sourced from PubChem (CID 116575344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).