4-[(4-methoxycyclohexyl)amino]oxolan-3-ol

C11H21NO3 — CID 104530548

IUPAC4-[(4-methoxycyclohexyl)amino]oxolan-3-ol
SMILESCOC1CCC(NC2COCC2O)CC1
InChIInChI=1S/C11H21NO3/c1-14-9-4-2-8(3-5-9)12-10-6-15-7-11(10)13/h8-13H,2-7H2,1H3
InChIKeyOCLFRVAEDMONTQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.29
Rot. Bonds3

About 4-[(4-methoxycyclohexyl)amino]oxolan-3-ol

4-[(4-methoxycyclohexyl)amino]oxolan-3-ol (PubChem CID 104530548) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-[(4-methoxycyclohexyl)amino]oxolan-3-ol.

Molecular Properties

Compound Name4-[(4-methoxycyclohexyl)amino]oxolan-3-ol
PubChem CID104530548
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-[(4-methoxycyclohexyl)amino]oxolan-3-ol
SMILESCOC1CCC(NC2COCC2O)CC1
InChIInChI=1S/C11H21NO3/c1-14-9-4-2-8(3-5-9)12-10-6-15-7-11(10)13/h8-13H,2-7H2,1H3
InChIKeyOCLFRVAEDMONTQ-UHFFFAOYSA-N
XLogP0.29
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxycyclohexyl)amino]oxolan-3-ol?
The IUPAC name of 4-[(4-methoxycyclohexyl)amino]oxolan-3-ol (CID 104530548) is 4-[(4-methoxycyclohexyl)amino]oxolan-3-ol.
What is the SMILES notation for 4-[(4-methoxycyclohexyl)amino]oxolan-3-ol?
The canonical SMILES for 4-[(4-methoxycyclohexyl)amino]oxolan-3-ol is COC1CCC(NC2COCC2O)CC1.
What is the InChIKey of 4-[(4-methoxycyclohexyl)amino]oxolan-3-ol?
The InChIKey is OCLFRVAEDMONTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-14-9-4-2-8(3-5-9)12-10-6-15-7-11(10)13/h8-13H,2-7H2,1H3.
What are the key properties of 4-[(4-methoxycyclohexyl)amino]oxolan-3-ol?
4-[(4-methoxycyclohexyl)amino]oxolan-3-ol has a molecular weight of 215.29 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxycyclohexyl)amino]oxolan-3-ol is sourced from PubChem (CID 104530548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).