2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[4.1.0]heptan-2-ol

C14H23NO2 — CID 112740432

IUPAC2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[4.1.0]heptan-2-ol
SMILESNCC1(C2(O)CCCC3CC32)CC2CCC1O2
InChIInChI=1S/C14H23NO2/c15-8-13(7-10-3-4-12(13)17-10)14(16)5-1-2-9-6-11(9)14/h9-12,16H,1-8,15H2
InChIKeyFADTZKJQKGAFAC-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.43
Rot. Bonds2

About 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[4.1.0]heptan-2-ol

2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[4.1.0]heptan-2-ol (PubChem CID 112740432) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[4.1.0]heptan-2-ol
PubChem CID112740432
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[4.1.0]heptan-2-ol
SMILESNCC1(C2(O)CCCC3CC32)CC2CCC1O2
InChIInChI=1S/C14H23NO2/c15-8-13(7-10-3-4-12(13)17-10)14(16)5-1-2-9-6-11(9)14/h9-12,16H,1-8,15H2
InChIKeyFADTZKJQKGAFAC-UHFFFAOYSA-N
XLogP1.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[4.1.0]heptan-2-ol with MolForge

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Related Compounds

1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-cyclopropylcyclohexan-1-ol
CID 79125223
4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-ethylpiperidin-4-ol
CID 79136018
3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpyrrolidin-3-ol
CID 79134850
4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methyloxan-4-ol
CID 79126049
1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2,3-dihydroinden-1-ol
CID 79127706
(1S,2R,4R)-2-(aminomethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 138040067
(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol
CID 98172819
1-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
CID 83906776
3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-ol
CID 79126659
2-(1-aminobutan-2-yl)bicyclo[4.1.0]heptan-2-ol
CID 130526368
1-[1-(aminomethyl)cyclooctyl]-3-cyclopropylcyclohexan-1-ol
CID 80603544
1-[1-(aminomethyl)cyclohexyl]-3-cyclopropylcyclohexan-1-ol
CID 79126430

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[4.1.0]heptan-2-ol?
The IUPAC name of 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[4.1.0]heptan-2-ol (CID 112740432) is 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[4.1.0]heptan-2-ol is NCC1(C2(O)CCCC3CC32)CC2CCC1O2.
What is the InChIKey of 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[4.1.0]heptan-2-ol?
The InChIKey is FADTZKJQKGAFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c15-8-13(7-10-3-4-12(13)17-10)14(16)5-1-2-9-6-11(9)14/h9-12,16H,1-8,15H2.
What are the key properties of 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[4.1.0]heptan-2-ol?
2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[4.1.0]heptan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 112740432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).