1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclobutan-1-ol

C11H19NO2 — CID 79124677

IUPAC1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclobutan-1-ol
SMILESNCC1(C2(O)CCC2)CC2CCC1O2
InChIInChI=1S/C11H19NO2/c12-7-10(11(13)4-1-5-11)6-8-2-3-9(10)14-8/h8-9,13H,1-7,12H2
InChIKeyATBWIEHFWPGZFM-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.80
Rot. Bonds2

About 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclobutan-1-ol

1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclobutan-1-ol (PubChem CID 79124677) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclobutan-1-ol
PubChem CID79124677
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclobutan-1-ol
SMILESNCC1(C2(O)CCC2)CC2CCC1O2
InChIInChI=1S/C11H19NO2/c12-7-10(11(13)4-1-5-11)6-8-2-3-9(10)14-8/h8-9,13H,1-7,12H2
InChIKeyATBWIEHFWPGZFM-UHFFFAOYSA-N
XLogP0.80
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclobutan-1-ol?
The IUPAC name of 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclobutan-1-ol (CID 79124677) is 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclobutan-1-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclobutan-1-ol?
The canonical SMILES for 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclobutan-1-ol is NCC1(C2(O)CCC2)CC2CCC1O2.
What is the InChIKey of 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclobutan-1-ol?
The InChIKey is ATBWIEHFWPGZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c12-7-10(11(13)4-1-5-11)6-8-2-3-9(10)14-8/h8-9,13H,1-7,12H2.
What are the key properties of 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclobutan-1-ol?
1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclobutan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclobutan-1-ol is sourced from PubChem (CID 79124677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).