2,2-dimethyl-4-propan-2-yloxypyrrolidine

C9H19NO — CID 116821042

IUPAC2,2-dimethyl-4-propan-2-yloxypyrrolidine
SMILESCC(C)OC1CNC(C)(C)C1
InChIInChI=1S/C9H19NO/c1-7(2)11-8-5-9(3,4)10-6-8/h7-8,10H,5-6H2,1-4H3
InChIKeyQDGPQVAPIIFTJT-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.55
Rot. Bonds2

About 2,2-dimethyl-4-propan-2-yloxypyrrolidine

2,2-dimethyl-4-propan-2-yloxypyrrolidine (PubChem CID 116821042) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,2-dimethyl-4-propan-2-yloxypyrrolidine.

Molecular Properties

Compound Name2,2-dimethyl-4-propan-2-yloxypyrrolidine
PubChem CID116821042
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2,2-dimethyl-4-propan-2-yloxypyrrolidine
SMILESCC(C)OC1CNC(C)(C)C1
InChIInChI=1S/C9H19NO/c1-7(2)11-8-5-9(3,4)10-6-8/h7-8,10H,5-6H2,1-4H3
InChIKeyQDGPQVAPIIFTJT-UHFFFAOYSA-N
XLogP1.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(3-methylbutoxy)pyrrolidine hydrochloride
CID 134690945
4-Ethyl-2-methyl-2-(2-methylpropyl)-1,3-oxazolidine
CID 19920832
2-Ethyl-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 168942620
2-(Difluoromethyl)-2-(propan-2-yloxymethyl)pyrrolidine
CID 172328782
(3R)-3-(3-methylbutoxy)pyrrolidine
CID 26191825
3-(3-Fluoro-3-methylbutoxy)pyrrolidine
CID 84655342
(2S,4S)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine
CID 99995025
(2R,4S)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine
CID 99995028
(2S,4R)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine
CID 99995031
(2R,4R)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine
CID 99995033
4-(2-Fluoro-ethoxy)-2-isopropyl-pyrrolidine
CID 102568647
N-(2-fluoroethyl)-2,3-dimethyloxolan-3-amine
CID 103581302

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-propan-2-yloxypyrrolidine?
The IUPAC name of 2,2-dimethyl-4-propan-2-yloxypyrrolidine (CID 116821042) is 2,2-dimethyl-4-propan-2-yloxypyrrolidine.
What is the SMILES notation for 2,2-dimethyl-4-propan-2-yloxypyrrolidine?
The canonical SMILES for 2,2-dimethyl-4-propan-2-yloxypyrrolidine is CC(C)OC1CNC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-4-propan-2-yloxypyrrolidine?
The InChIKey is QDGPQVAPIIFTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)11-8-5-9(3,4)10-6-8/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-propan-2-yloxypyrrolidine?
2,2-dimethyl-4-propan-2-yloxypyrrolidine has a molecular weight of 157.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-propan-2-yloxypyrrolidine is sourced from PubChem (CID 116821042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).