2-(3,4-dimethylpyrrolidin-1-yl)-2-(oxolan-2-yl)ethanamine

C12H24N2O — CID 82836533

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)-2-(oxolan-2-yl)ethanamine
SMILESCC1CN(C(CN)C2CCCO2)CC1C
InChIInChI=1S/C12H24N2O/c1-9-7-14(8-10(9)2)11(6-13)12-4-3-5-15-12/h9-12H,3-8,13H2,1-2H3
InChIKeyBIBZKHHSECJXHM-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.08
Rot. Bonds3

About 2-(3,4-dimethylpyrrolidin-1-yl)-2-(oxolan-2-yl)ethanamine

2-(3,4-dimethylpyrrolidin-1-yl)-2-(oxolan-2-yl)ethanamine (PubChem CID 82836533) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)-2-(oxolan-2-yl)ethanamine
PubChem CID82836533
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)-2-(oxolan-2-yl)ethanamine
SMILESCC1CN(C(CN)C2CCCO2)CC1C
InChIInChI=1S/C12H24N2O/c1-9-7-14(8-10(9)2)11(6-13)12-4-3-5-15-12/h9-12H,3-8,13H2,1-2H3
InChIKeyBIBZKHHSECJXHM-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-2-(oxolan-2-yl)ethanamine (CID 82836533) is 2-(3,4-dimethylpyrrolidin-1-yl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)-2-(oxolan-2-yl)ethanamine is CC1CN(C(CN)C2CCCO2)CC1C.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is BIBZKHHSECJXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9-7-14(8-10(9)2)11(6-13)12-4-3-5-15-12/h9-12H,3-8,13H2,1-2H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)-2-(oxolan-2-yl)ethanamine?
2-(3,4-dimethylpyrrolidin-1-yl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 212.34 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 82836533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).