[4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanium

C10H20NO2+ — CID 3573479

IUPAC[4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanium
SMILESCCOC(=O)CC1CCC([NH3+])CC1
InChIInChI=1S/C10H19NO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h8-9H,2-7,11H2,1H3/p+1
InChIKeySBVCDGKSVSHGFL-UHFFFAOYSA-O
MW186.27 g/mol
LogP0.74
Rot. Bonds3

About [4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanium

[4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanium (PubChem CID 3573479) has the molecular formula C10H20NO2+ and a molecular weight of 186.27 g/mol. Its IUPAC name is [4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanium.

Molecular Properties

Compound Name[4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanium
PubChem CID3573479
Molecular FormulaC10H20NO2+
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name[4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanium
SMILESCCOC(=O)CC1CCC([NH3+])CC1
InChIInChI=1S/C10H19NO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h8-9H,2-7,11H2,1H3/p+1
InChIKeySBVCDGKSVSHGFL-UHFFFAOYSA-O
XLogP0.74
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanium?
The IUPAC name of [4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanium (CID 3573479) is [4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanium.
What is the SMILES notation for [4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanium?
The canonical SMILES for [4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanium is CCOC(=O)CC1CCC([NH3+])CC1.
What is the InChIKey of [4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanium?
The InChIKey is SBVCDGKSVSHGFL-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19NO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h8-9H,2-7,11H2,1H3/p+1.
What are the key properties of [4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanium?
[4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanium has a molecular weight of 186.27 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanium is sourced from PubChem (CID 3573479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).