1-[2-(cyclohexylamino)ethoxy]propan-2-ol

C11H23NO2 — CID 118106912

IUPAC1-[2-(cyclohexylamino)ethoxy]propan-2-ol
SMILESCC(O)COCCNC1CCCCC1
InChIInChI=1S/C11H23NO2/c1-10(13)9-14-8-7-12-11-5-3-2-4-6-11/h10-13H,2-9H2,1H3
InChIKeySOJKHOYOSHFTNN-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.31
Rot. Bonds6

About 1-[2-(cyclohexylamino)ethoxy]propan-2-ol

1-[2-(cyclohexylamino)ethoxy]propan-2-ol (PubChem CID 118106912) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[2-(cyclohexylamino)ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-(cyclohexylamino)ethoxy]propan-2-ol
PubChem CID118106912
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-[2-(cyclohexylamino)ethoxy]propan-2-ol
SMILESCC(O)COCCNC1CCCCC1
InChIInChI=1S/C11H23NO2/c1-10(13)9-14-8-7-12-11-5-3-2-4-6-11/h10-13H,2-9H2,1H3
InChIKeySOJKHOYOSHFTNN-UHFFFAOYSA-N
XLogP1.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylamino)ethoxy]propan-2-ol?
The IUPAC name of 1-[2-(cyclohexylamino)ethoxy]propan-2-ol (CID 118106912) is 1-[2-(cyclohexylamino)ethoxy]propan-2-ol.
What is the SMILES notation for 1-[2-(cyclohexylamino)ethoxy]propan-2-ol?
The canonical SMILES for 1-[2-(cyclohexylamino)ethoxy]propan-2-ol is CC(O)COCCNC1CCCCC1.
What is the InChIKey of 1-[2-(cyclohexylamino)ethoxy]propan-2-ol?
The InChIKey is SOJKHOYOSHFTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(13)9-14-8-7-12-11-5-3-2-4-6-11/h10-13H,2-9H2,1H3.
What are the key properties of 1-[2-(cyclohexylamino)ethoxy]propan-2-ol?
1-[2-(cyclohexylamino)ethoxy]propan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexylamino)ethoxy]propan-2-ol is sourced from PubChem (CID 118106912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).