2-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)oxy-N,N-dimethylethanamine

C14H30N2O — CID 168821111

IUPAC2-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)oxy-N,N-dimethylethanamine
SMILESCN(C)CCOC1CN(C(C)(C)C)C(C)(C)C1
InChIInChI=1S/C14H30N2O/c1-13(2,3)16-11-12(10-14(16,4)5)17-9-8-15(6)7/h12H,8-11H2,1-7H3
InChIKeyBTQMMFWCEQUFEU-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.22
Rot. Bonds4

About 2-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)oxy-N,N-dimethylethanamine

2-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)oxy-N,N-dimethylethanamine (PubChem CID 168821111) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)oxy-N,N-dimethylethanamine
PubChem CID168821111
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)oxy-N,N-dimethylethanamine
SMILESCN(C)CCOC1CN(C(C)(C)C)C(C)(C)C1
InChIInChI=1S/C14H30N2O/c1-13(2,3)16-11-12(10-14(16,4)5)17-9-8-15(6)7/h12H,8-11H2,1-7H3
InChIKeyBTQMMFWCEQUFEU-UHFFFAOYSA-N
XLogP2.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R,3S,4S)-1,2-ditert-butyl-4-fluoropyrrolidin-3-yl]oxy-N,N-dimethylethanamine
CID 146435756
2-[(2R,3S,4S)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]oxy-N,N-dimethylethanamine
CID 153298786
1-(3-Fluoropropyl)-2-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 163889613
(2S)-1-(3-fluoropropyl)-2-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 166984313
4-Fluoro-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 166984373
1-Tert-butyl-2,2-dimethyl-3-(trifluoromethoxy)pyrrolidine
CID 169938654
(3R)-1-tert-butyl-2,2-dimethyl-3-(trifluoromethoxy)pyrrolidine
CID 169938655
(2S)-2-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 177126147
3-Fluoro-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 177126288
(2R,3S)-3-fluoro-1,2-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 177126310
1-(tert-Butyl)-3-methoxypyrrolidine
CID 21180413
3-Ethyl-2-methyl-2-(2-methylpropyl)-1,3-oxazolidine
CID 22996832

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)oxy-N,N-dimethylethanamine?
The IUPAC name of 2-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)oxy-N,N-dimethylethanamine (CID 168821111) is 2-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)oxy-N,N-dimethylethanamine is CN(C)CCOC1CN(C(C)(C)C)C(C)(C)C1.
What is the InChIKey of 2-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)oxy-N,N-dimethylethanamine?
The InChIKey is BTQMMFWCEQUFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(2,3)16-11-12(10-14(16,4)5)17-9-8-15(6)7/h12H,8-11H2,1-7H3.
What are the key properties of 2-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)oxy-N,N-dimethylethanamine?
2-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)oxy-N,N-dimethylethanamine has a molecular weight of 242.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)oxy-N,N-dimethylethanamine is sourced from PubChem (CID 168821111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).