2-(ethoxymethyl)-1,4-di(propan-2-yl)pyrrolidine

C13H27NO — CID 58778550

IUPAC2-(ethoxymethyl)-1,4-di(propan-2-yl)pyrrolidine
SMILESCCOCC1CC(C(C)C)CN1C(C)C
InChIInChI=1S/C13H27NO/c1-6-15-9-13-7-12(10(2)3)8-14(13)11(4)5/h10-13H,6-9H2,1-5H3
InChIKeyMVTKPXUCRQZNIL-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.78
Rot. Bonds5

About 2-(ethoxymethyl)-1,4-di(propan-2-yl)pyrrolidine

2-(ethoxymethyl)-1,4-di(propan-2-yl)pyrrolidine (PubChem CID 58778550) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1,4-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-(ethoxymethyl)-1,4-di(propan-2-yl)pyrrolidine
PubChem CID58778550
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-(ethoxymethyl)-1,4-di(propan-2-yl)pyrrolidine
SMILESCCOCC1CC(C(C)C)CN1C(C)C
InChIInChI=1S/C13H27NO/c1-6-15-9-13-7-12(10(2)3)8-14(13)11(4)5/h10-13H,6-9H2,1-5H3
InChIKeyMVTKPXUCRQZNIL-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(ethoxymethyl)-1,4-di(propan-2-yl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Oxazolidine, 3-butyl-2-(1-ethylpentyl)-
CID 3297025
3-Fluoro-2-(methoxymethyl)-1,4-di(propan-2-yl)pyrrolidine
CID 58778841
1-(3-Fluoropropyl)-2-(methoxymethyl)-2-propan-2-ylpyrrolidine
CID 163514851
(2S,4S)-2-(ethoxymethyl)-4-fluoro-1,4-dimethylpyrrolidine
CID 168880792
(2R,3S,4S)-3-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine
CID 168881066
(2S,4R)-2-(ethoxymethyl)-4-fluoro-1,4-dimethylpyrrolidine
CID 168881253
(2S,3S)-3-(fluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine
CID 168881283
2-(Ethoxymethyl)-1,2-diethyl-4-fluoropyrrolidine
CID 168942667
(2S,3S)-3-(2-fluoropropan-2-yl)-2-(methoxymethyl)-1-methylpyrrolidine
CID 169849076
(2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 175612151
2-(Ethoxymethyl)-4-(fluoromethyl)-1-methylpyrrolidine
CID 176568603
(2S,4S)-4-(1,1-difluoropropan-2-yl)-2-(ethoxymethyl)-1,2-dimethylpyrrolidine
CID 177009129

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1,4-di(propan-2-yl)pyrrolidine?
The IUPAC name of 2-(ethoxymethyl)-1,4-di(propan-2-yl)pyrrolidine (CID 58778550) is 2-(ethoxymethyl)-1,4-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 2-(ethoxymethyl)-1,4-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 2-(ethoxymethyl)-1,4-di(propan-2-yl)pyrrolidine is CCOCC1CC(C(C)C)CN1C(C)C.
What is the InChIKey of 2-(ethoxymethyl)-1,4-di(propan-2-yl)pyrrolidine?
The InChIKey is MVTKPXUCRQZNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-15-9-13-7-12(10(2)3)8-14(13)11(4)5/h10-13H,6-9H2,1-5H3.
What are the key properties of 2-(ethoxymethyl)-1,4-di(propan-2-yl)pyrrolidine?
2-(ethoxymethyl)-1,4-di(propan-2-yl)pyrrolidine has a molecular weight of 213.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1,4-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 58778550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).