4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methyloxan-4-ol

C13H23NO3 — CID 79126049

IUPAC4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methyloxan-4-ol
SMILESCC1CC(O)(C2(CN)CC3CCC2O3)CCO1
InChIInChI=1S/C13H23NO3/c1-9-6-13(15,4-5-16-9)12(8-14)7-10-2-3-11(12)17-10/h9-11,15H,2-8,14H2,1H3
InChIKeyJEFMFHYOXKPIBU-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.81
Rot. Bonds2

About 4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methyloxan-4-ol

4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methyloxan-4-ol (PubChem CID 79126049) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methyloxan-4-ol.

Molecular Properties

Compound Name4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methyloxan-4-ol
PubChem CID79126049
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methyloxan-4-ol
SMILESCC1CC(O)(C2(CN)CC3CCC2O3)CCO1
InChIInChI=1S/C13H23NO3/c1-9-6-13(15,4-5-16-9)12(8-14)7-10-2-3-11(12)17-10/h9-11,15H,2-8,14H2,1H3
InChIKeyJEFMFHYOXKPIBU-UHFFFAOYSA-N
XLogP0.81
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-ethylpiperidin-4-ol
CID 79136018
1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-cyclopropylcyclohexan-1-ol
CID 79125223
3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpyrrolidin-3-ol
CID 79134850
2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[4.1.0]heptan-2-ol
CID 112740432
4-(aminomethyl)-N-cycloheptyl-2-methyloxan-4-amine
CID 65379737
1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2,3-dihydroinden-1-ol
CID 79127706
3-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]propan-1-ol
CID 65378451
2-[(5-methyloxolan-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 103142389
4-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-2-ethyloxan-4-ol
CID 113383723
4-ethynyl-2-methyloxan-4-ol
CID 45079336
4-(1-aminopropan-2-yl)-2-methyloxan-4-ol
CID 79126205
4-(aminomethyl)-2-methyl-N-prop-2-enyloxan-4-amine
CID 65384080

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methyloxan-4-ol?
The IUPAC name of 4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methyloxan-4-ol (CID 79126049) is 4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methyloxan-4-ol.
What is the SMILES notation for 4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methyloxan-4-ol?
The canonical SMILES for 4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methyloxan-4-ol is CC1CC(O)(C2(CN)CC3CCC2O3)CCO1.
What is the InChIKey of 4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methyloxan-4-ol?
The InChIKey is JEFMFHYOXKPIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9-6-13(15,4-5-16-9)12(8-14)7-10-2-3-11(12)17-10/h9-11,15H,2-8,14H2,1H3.
What are the key properties of 4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methyloxan-4-ol?
4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methyloxan-4-ol has a molecular weight of 241.33 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methyloxan-4-ol is sourced from PubChem (CID 79126049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).