3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpyrrolidin-3-ol

C14H24N2O2 — CID 79134850

IUPAC3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpyrrolidin-3-ol
SMILESNCC1(C2(O)CCN(C3CC3)C2)CC2CCC1O2
InChIInChI=1S/C14H24N2O2/c15-8-13(7-11-3-4-12(13)18-11)14(17)5-6-16(9-14)10-1-2-10/h10-12,17H,1-9,15H2
InChIKeyNBHAKBZQFAATLN-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.48
Rot. Bonds3

About 3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpyrrolidin-3-ol

3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpyrrolidin-3-ol (PubChem CID 79134850) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpyrrolidin-3-ol
PubChem CID79134850
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpyrrolidin-3-ol
SMILESNCC1(C2(O)CCN(C3CC3)C2)CC2CCC1O2
InChIInChI=1S/C14H24N2O2/c15-8-13(7-11-3-4-12(13)18-11)14(17)5-6-16(9-14)10-1-2-10/h10-12,17H,1-9,15H2
InChIKeyNBHAKBZQFAATLN-UHFFFAOYSA-N
XLogP0.48
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[4.1.0]heptan-2-ol
CID 112740432
3-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol
CID 79135758
3-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol
CID 79134939
3-(aminomethyl)-1-cyclobutylpyrrolidin-3-ol
CID 115013788
(6-cyclopropyl-6-azaspiro[3.4]octan-2-yl)methanamine
CID 71649148
[3-(azepan-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine
CID 62976371
3-(aminomethyl)-N-but-3-yn-2-yl-1-cyclopropylpyrrolidin-3-amine
CID 114416226
3-(aminomethyl)-1-cyclopropyl-N,N-diethylpyrrolidin-3-amine
CID 62975820

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpyrrolidin-3-ol?
The IUPAC name of 3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpyrrolidin-3-ol (CID 79134850) is 3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpyrrolidin-3-ol.
What is the SMILES notation for 3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpyrrolidin-3-ol?
The canonical SMILES for 3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpyrrolidin-3-ol is NCC1(C2(O)CCN(C3CC3)C2)CC2CCC1O2.
What is the InChIKey of 3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpyrrolidin-3-ol?
The InChIKey is NBHAKBZQFAATLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c15-8-13(7-11-3-4-12(13)18-11)14(17)5-6-16(9-14)10-1-2-10/h10-12,17H,1-9,15H2.
What are the key properties of 3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpyrrolidin-3-ol?
3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpyrrolidin-3-ol has a molecular weight of 252.36 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpyrrolidin-3-ol is sourced from PubChem (CID 79134850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).