2-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine

C14H28N2O — CID 113448329

IUPAC2-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CN1CCC(C)(C)C1)C1CCOC1
InChIInChI=1S/C14H28N2O/c1-4-15-13(12-5-8-17-10-12)9-16-7-6-14(2,3)11-16/h12-13,15H,4-11H2,1-3H3
InChIKeyRATFSPPBLVTZMU-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.73
Rot. Bonds5

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

2-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine (PubChem CID 113448329) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
PubChem CID113448329
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CN1CCC(C)(C)C1)C1CCOC1
InChIInChI=1S/C14H28N2O/c1-4-15-13(12-5-8-17-10-12)9-16-7-6-14(2,3)11-16/h12-13,15H,4-11H2,1-3H3
InChIKeyRATFSPPBLVTZMU-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2-(3,3-dimethylpiperidin-1-yl)-N-ethylethanamine
CID 104746425
2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104745923
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104746111
3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104747837
1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine
CID 104746542
1-cyclopentyl-2-(3,3-dimethylpyrrolidin-1-yl)-N-methylethanamine
CID 104746766
1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,3-dione
CID 104747590
N-[2-(3,3-dimethylmorpholin-4-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104745193
N-ethyl-1-(oxolan-3-yl)pentan-1-amine
CID 65330630
2-(2,5-dimethylmorpholin-4-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104744800
N-ethyl-1-(oxolan-3-yl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanamine
CID 104746584
N,N',N'-triethyl-1-(oxolan-3-yl)propane-1,3-diamine
CID 79087913

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine (CID 113448329) is 2-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine is CCNC(CN1CCC(C)(C)C1)C1CCOC1.
What is the InChIKey of 2-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is RATFSPPBLVTZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-15-13(12-5-8-17-10-12)9-16-7-6-14(2,3)11-16/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 2-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
2-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 240.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 113448329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).