2-(3-methylpyrrolidin-1-yl)-2-(oxolan-3-yl)ethanamine

C11H22N2O — CID 61222169

IUPAC2-(3-methylpyrrolidin-1-yl)-2-(oxolan-3-yl)ethanamine
SMILESCC1CCN(C(CN)C2CCOC2)C1
InChIInChI=1S/C11H22N2O/c1-9-2-4-13(7-9)11(6-12)10-3-5-14-8-10/h9-11H,2-8,12H2,1H3
InChIKeyQHRMTDOBXLPOLK-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.69
Rot. Bonds3

About 2-(3-methylpyrrolidin-1-yl)-2-(oxolan-3-yl)ethanamine

2-(3-methylpyrrolidin-1-yl)-2-(oxolan-3-yl)ethanamine (PubChem CID 61222169) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(3-methylpyrrolidin-1-yl)-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methylpyrrolidin-1-yl)-2-(oxolan-3-yl)ethanamine
PubChem CID61222169
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(3-methylpyrrolidin-1-yl)-2-(oxolan-3-yl)ethanamine
SMILESCC1CCN(C(CN)C2CCOC2)C1
InChIInChI=1S/C11H22N2O/c1-9-2-4-13(7-9)11(6-12)10-3-5-14-8-10/h9-11H,2-8,12H2,1H3
InChIKeyQHRMTDOBXLPOLK-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-1-(oxolan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166511
2-(3-methoxypyrrolidin-1-yl)-2-(oxolan-3-yl)ethanamine
CID 103531661
1-[2-amino-1-(oxan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 55242614
2-(4,4-dimethylazepan-1-yl)-2-(oxolan-3-yl)ethanamine
CID 65283837
2-(2,4-dimethylpiperidin-1-yl)-2-(oxan-3-yl)ethanamine
CID 63741474
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(oxolan-3-yl)ethanamine
CID 16783449
2-cyclopentyl-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62988805
2-(2,4-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanamine
CID 62386327
2-(4-butan-2-ylpiperazin-1-yl)-2-(oxan-4-yl)ethanamine
CID 62775186
2-(4-tert-butylcyclohexyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 104575324
2-(oxan-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
CID 62384679
2-(oxan-4-yl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 62387025

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrrolidin-1-yl)-2-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(3-methylpyrrolidin-1-yl)-2-(oxolan-3-yl)ethanamine (CID 61222169) is 2-(3-methylpyrrolidin-1-yl)-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-methylpyrrolidin-1-yl)-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-methylpyrrolidin-1-yl)-2-(oxolan-3-yl)ethanamine is CC1CCN(C(CN)C2CCOC2)C1.
What is the InChIKey of 2-(3-methylpyrrolidin-1-yl)-2-(oxolan-3-yl)ethanamine?
The InChIKey is QHRMTDOBXLPOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-2-4-13(7-9)11(6-12)10-3-5-14-8-10/h9-11H,2-8,12H2,1H3.
What are the key properties of 2-(3-methylpyrrolidin-1-yl)-2-(oxolan-3-yl)ethanamine?
2-(3-methylpyrrolidin-1-yl)-2-(oxolan-3-yl)ethanamine has a molecular weight of 198.31 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrrolidin-1-yl)-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 61222169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).