3-methoxy-1-methyl-3-propan-2-ylpyrrolidine

C9H19NO — CID 163257812

IUPAC3-methoxy-1-methyl-3-propan-2-ylpyrrolidine
SMILESCOC1(C(C)C)CCN(C)C1
InChIInChI=1S/C9H19NO/c1-8(2)9(11-4)5-6-10(3)7-9/h8H,5-7H2,1-4H3
InChIKeyHBQCAUFUTDRXEZ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.36
Rot. Bonds2

About 3-methoxy-1-methyl-3-propan-2-ylpyrrolidine

3-methoxy-1-methyl-3-propan-2-ylpyrrolidine (PubChem CID 163257812) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-methoxy-1-methyl-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-methoxy-1-methyl-3-propan-2-ylpyrrolidine
PubChem CID163257812
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-methoxy-1-methyl-3-propan-2-ylpyrrolidine
SMILESCOC1(C(C)C)CCN(C)C1
InChIInChI=1S/C9H19NO/c1-8(2)9(11-4)5-6-10(3)7-9/h8H,5-7H2,1-4H3
InChIKeyHBQCAUFUTDRXEZ-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-1-methyl-3-propan-2-ylpyrrolidine 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

3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine
CID 122549628
3-methoxy-1-methylpyrrolidin-3-ol
CID 70383865
2,7-dimethyl-2,7-diazaspiro[4.4]nonane;ethane
CID 144510455
1-fluoro-3-methyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 178124743
1,4-dimethyl-4-propan-2-ylpiperidine;ethane
CID 142456453
methoxymethane;1,3,3-trimethylpyrrolidine
CID 166534043
N-[(3-methoxy-1-methylpyrrolidin-3-yl)methyl]-N-methylpropan-2-amine
CID 165404567
ethane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 177025738
(3S)-1,3-dimethyl-3-propan-2-yloxypyrrolidine
CID 169313450
2,7-dimethyl-2,7-diazaspiro[3.4]octane;ethane
CID 143122018
1-methyl-4,4-di(propan-2-yl)piperidine
CID 18740750
3,3-difluoro-1-methylpyrrolidine;propane
CID 143065590

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-3-propan-2-ylpyrrolidine?
The IUPAC name of 3-methoxy-1-methyl-3-propan-2-ylpyrrolidine (CID 163257812) is 3-methoxy-1-methyl-3-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-methoxy-1-methyl-3-propan-2-ylpyrrolidine?
The canonical SMILES for 3-methoxy-1-methyl-3-propan-2-ylpyrrolidine is COC1(C(C)C)CCN(C)C1.
What is the InChIKey of 3-methoxy-1-methyl-3-propan-2-ylpyrrolidine?
The InChIKey is HBQCAUFUTDRXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)9(11-4)5-6-10(3)7-9/h8H,5-7H2,1-4H3.
What are the key properties of 3-methoxy-1-methyl-3-propan-2-ylpyrrolidine?
3-methoxy-1-methyl-3-propan-2-ylpyrrolidine has a molecular weight of 157.26 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 163257812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).