4-[(4-ethylcyclohexyl)methylamino]oxolan-3-ol

C13H25NO2 — CID 60973206

IUPAC4-[(4-ethylcyclohexyl)methylamino]oxolan-3-ol
SMILESCCC1CCC(CNC2COCC2O)CC1
InChIInChI=1S/C13H25NO2/c1-2-10-3-5-11(6-4-10)7-14-12-8-16-9-13(12)15/h10-15H,2-9H2,1H3
InChIKeyNRHRTZDFBUZAMS-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.55
Rot. Bonds4

About 4-[(4-ethylcyclohexyl)methylamino]oxolan-3-ol

4-[(4-ethylcyclohexyl)methylamino]oxolan-3-ol (PubChem CID 60973206) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-[(4-ethylcyclohexyl)methylamino]oxolan-3-ol.

Molecular Properties

Compound Name4-[(4-ethylcyclohexyl)methylamino]oxolan-3-ol
PubChem CID60973206
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-[(4-ethylcyclohexyl)methylamino]oxolan-3-ol
SMILESCCC1CCC(CNC2COCC2O)CC1
InChIInChI=1S/C13H25NO2/c1-2-10-3-5-11(6-4-10)7-14-12-8-16-9-13(12)15/h10-15H,2-9H2,1H3
InChIKeyNRHRTZDFBUZAMS-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylcyclohexyl)methylamino]oxolan-3-ol?
The IUPAC name of 4-[(4-ethylcyclohexyl)methylamino]oxolan-3-ol (CID 60973206) is 4-[(4-ethylcyclohexyl)methylamino]oxolan-3-ol.
What is the SMILES notation for 4-[(4-ethylcyclohexyl)methylamino]oxolan-3-ol?
The canonical SMILES for 4-[(4-ethylcyclohexyl)methylamino]oxolan-3-ol is CCC1CCC(CNC2COCC2O)CC1.
What is the InChIKey of 4-[(4-ethylcyclohexyl)methylamino]oxolan-3-ol?
The InChIKey is NRHRTZDFBUZAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-10-3-5-11(6-4-10)7-14-12-8-16-9-13(12)15/h10-15H,2-9H2,1H3.
What are the key properties of 4-[(4-ethylcyclohexyl)methylamino]oxolan-3-ol?
4-[(4-ethylcyclohexyl)methylamino]oxolan-3-ol has a molecular weight of 227.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylcyclohexyl)methylamino]oxolan-3-ol is sourced from PubChem (CID 60973206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).