2-[1-(1-aminoethyl)-3-methoxycyclohexyl]ethanol

C11H23NO2 — CID 106874734

IUPAC2-[1-(1-aminoethyl)-3-methoxycyclohexyl]ethanol
SMILESCOC1CCCC(CCO)(C(C)N)C1
InChIInChI=1S/C11H23NO2/c1-9(12)11(6-7-13)5-3-4-10(8-11)14-2/h9-10,13H,3-8,12H2,1-2H3
InChIKeyIUIGVWRGLXDFOP-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.29
Rot. Bonds4

About 2-[1-(1-aminoethyl)-3-methoxycyclohexyl]ethanol

2-[1-(1-aminoethyl)-3-methoxycyclohexyl]ethanol (PubChem CID 106874734) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[1-(1-aminoethyl)-3-methoxycyclohexyl]ethanol.

Molecular Properties

Compound Name2-[1-(1-aminoethyl)-3-methoxycyclohexyl]ethanol
PubChem CID106874734
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-[1-(1-aminoethyl)-3-methoxycyclohexyl]ethanol
SMILESCOC1CCCC(CCO)(C(C)N)C1
InChIInChI=1S/C11H23NO2/c1-9(12)11(6-7-13)5-3-4-10(8-11)14-2/h9-10,13H,3-8,12H2,1-2H3
InChIKeyIUIGVWRGLXDFOP-UHFFFAOYSA-N
XLogP1.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminoethyl)-3-methoxycyclohexyl]ethanol?
The IUPAC name of 2-[1-(1-aminoethyl)-3-methoxycyclohexyl]ethanol (CID 106874734) is 2-[1-(1-aminoethyl)-3-methoxycyclohexyl]ethanol.
What is the SMILES notation for 2-[1-(1-aminoethyl)-3-methoxycyclohexyl]ethanol?
The canonical SMILES for 2-[1-(1-aminoethyl)-3-methoxycyclohexyl]ethanol is COC1CCCC(CCO)(C(C)N)C1.
What is the InChIKey of 2-[1-(1-aminoethyl)-3-methoxycyclohexyl]ethanol?
The InChIKey is IUIGVWRGLXDFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(12)11(6-7-13)5-3-4-10(8-11)14-2/h9-10,13H,3-8,12H2,1-2H3.
What are the key properties of 2-[1-(1-aminoethyl)-3-methoxycyclohexyl]ethanol?
2-[1-(1-aminoethyl)-3-methoxycyclohexyl]ethanol has a molecular weight of 201.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminoethyl)-3-methoxycyclohexyl]ethanol is sourced from PubChem (CID 106874734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).