[3-(aminomethyl)pyrrolidin-1-yl]-(oxan-3-yl)methanone

C11H20N2O2 — CID 62759965

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(oxan-3-yl)methanone
SMILESNCC1CCN(C(=O)C2CCCOC2)C1
InChIInChI=1S/C11H20N2O2/c12-6-9-3-4-13(7-9)11(14)10-2-1-5-15-8-10/h9-10H,1-8,12H2
InChIKeyJEVNXXLMEHCYFT-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.22
Rot. Bonds2

About [3-(aminomethyl)pyrrolidin-1-yl]-(oxan-3-yl)methanone

[3-(aminomethyl)pyrrolidin-1-yl]-(oxan-3-yl)methanone (PubChem CID 62759965) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(oxan-3-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(oxan-3-yl)methanone
PubChem CID62759965
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(oxan-3-yl)methanone
SMILESNCC1CCN(C(=O)C2CCCOC2)C1
InChIInChI=1S/C11H20N2O2/c12-6-9-3-4-13(7-9)11(14)10-2-1-5-15-8-10/h9-10H,1-8,12H2
InChIKeyJEVNXXLMEHCYFT-UHFFFAOYSA-N
XLogP0.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(aminomethyl)pyrrolidin-1-yl]-(oxan-3-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(oxan-3-yl)methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(oxan-3-yl)methanone (CID 62759965) is [3-(aminomethyl)pyrrolidin-1-yl]-(oxan-3-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(oxan-3-yl)methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(oxan-3-yl)methanone is NCC1CCN(C(=O)C2CCCOC2)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(oxan-3-yl)methanone?
The InChIKey is JEVNXXLMEHCYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c12-6-9-3-4-13(7-9)11(14)10-2-1-5-15-8-10/h9-10H,1-8,12H2.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(oxan-3-yl)methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-(oxan-3-yl)methanone has a molecular weight of 212.29 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(oxan-3-yl)methanone is sourced from PubChem (CID 62759965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).