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

C13H26N2O — CID 104746222

IUPAC2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(CN1CCCC1(C)C)C1CCOC1
InChIInChI=1S/C13H26N2O/c1-13(2)6-4-7-15(13)9-12(14-3)11-5-8-16-10-11/h11-12,14H,4-10H2,1-3H3
InChIKeyNIXUUXFHVVXVCL-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds4

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

2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine (PubChem CID 104746222) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine
PubChem CID104746222
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(CN1CCCC1(C)C)C1CCOC1
InChIInChI=1S/C13H26N2O/c1-13(2)6-4-7-15(13)9-12(14-3)11-5-8-16-10-11/h11-12,14H,4-10H2,1-3H3
InChIKeyNIXUUXFHVVXVCL-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(2-methylpiperidin-1-yl)-1-(oxolan-3-yl)ethanamine
CID 104744306
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-1-(oxolan-3-yl)ethanamine
CID 102725921
2-(2-ethylpiperidin-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104744647
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 104746479
2-(3-ethylmorpholin-4-yl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 113448072
N-[2-(3,3-dimethylmorpholin-4-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104745193
N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxolan-3-yl)ethanamine
CID 113448314
N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
CID 63564188
1-ethyl-4-[2-(methylamino)-2-(oxolan-3-yl)ethyl]piperazine-2,5-dione
CID 104747969
N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745948
1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propan-2-ylazepan-2-one
CID 104747789
2-(2,3-dihydroindol-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 113447953

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine (CID 104746222) is 2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine is CNC(CN1CCCC1(C)C)C1CCOC1.
What is the InChIKey of 2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is NIXUUXFHVVXVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2)6-4-7-15(13)9-12(14-3)11-5-8-16-10-11/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine?
2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104746222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).