[4-(aminomethyl)oxan-4-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride

C13H25ClN2O2 — CID 120937073

IUPAC[4-(aminomethyl)oxan-4-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCC1CCN(C(=O)C2(CN)CCOCC2)C1C.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-10-3-6-15(11(10)2)12(16)13(9-14)4-7-17-8-5-13;/h10-11H,3-9,14H2,1-2H3;1H
InChIKeyURFIHSJPEJDUHR-UHFFFAOYSA-N
MW276.81 g/mol
LogP1.42
Rot. Bonds2

About [4-(aminomethyl)oxan-4-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride

[4-(aminomethyl)oxan-4-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 120937073) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID120937073
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCC1CCN(C(=O)C2(CN)CCOCC2)C1C.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-10-3-6-15(11(10)2)12(16)13(9-14)4-7-17-8-5-13;/h10-11H,3-9,14H2,1-2H3;1H
InChIKeyURFIHSJPEJDUHR-UHFFFAOYSA-N
XLogP1.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(aminomethyl)oxan-4-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride 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 [4-(aminomethyl)oxan-4-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride (CID 120937073) is [4-(aminomethyl)oxan-4-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride is CC1CCN(C(=O)C2(CN)CCOCC2)C1C.Cl.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is URFIHSJPEJDUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c1-10-3-6-15(11(10)2)12(16)13(9-14)4-7-17-8-5-13;/h10-11H,3-9,14H2,1-2H3;1H.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride?
[4-(aminomethyl)oxan-4-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120937073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).