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

C13H23NO2 — CID 79123715

IUPAC1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpropan-1-ol
SMILESCCC(O)(C1CC1)C1(CN)CC2CCC1O2
InChIInChI=1S/C13H23NO2/c1-2-13(15,9-3-4-9)12(8-14)7-10-5-6-11(12)16-10/h9-11,15H,2-8,14H2,1H3
InChIKeyWCUHBWSKHSRNIL-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.43
Rot. Bonds4

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

1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpropan-1-ol (PubChem CID 79123715) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpropan-1-ol
PubChem CID79123715
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpropan-1-ol
SMILESCCC(O)(C1CC1)C1(CN)CC2CCC1O2
InChIInChI=1S/C13H23NO2/c1-2-13(15,9-3-4-9)12(8-14)7-10-5-6-11(12)16-10/h9-11,15H,2-8,14H2,1H3
InChIKeyWCUHBWSKHSRNIL-UHFFFAOYSA-N
XLogP1.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.43
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]-1-cyclopropylpropan-1-ol?
The IUPAC name of 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpropan-1-ol (CID 79123715) is 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpropan-1-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpropan-1-ol?
The canonical SMILES for 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpropan-1-ol is CCC(O)(C1CC1)C1(CN)CC2CCC1O2.
What is the InChIKey of 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpropan-1-ol?
The InChIKey is WCUHBWSKHSRNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-13(15,9-3-4-9)12(8-14)7-10-5-6-11(12)16-10/h9-11,15H,2-8,14H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpropan-1-ol?
1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpropan-1-ol has a molecular weight of 225.33 g/mol, XLogP of 1.43, 4 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]-1-cyclopropylpropan-1-ol is sourced from PubChem (CID 79123715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).