(2S)-1,2-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine

C11H23NO — CID 168995415

IUPAC(2S)-1,2-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
SMILESCC(C)O[C@@H](C)[C@]1(C)CCCN1C
InChIInChI=1S/C11H23NO/c1-9(2)13-10(3)11(4)7-6-8-12(11)5/h9-10H,6-8H2,1-5H3/t10-,11-/m0/s1
InChIKeyMXHJWCIOTXPLQZ-QWRGUYRKSA-N
MW185.31 g/mol
LogP2.28
Rot. Bonds3

About (2S)-1,2-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine

(2S)-1,2-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine (PubChem CID 168995415) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-1,2-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
PubChem CID168995415
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2S)-1,2-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
SMILESCC(C)O[C@@H](C)[C@]1(C)CCCN1C
InChIInChI=1S/C11H23NO/c1-9(2)13-10(3)11(4)7-6-8-12(11)5/h9-10H,6-8H2,1-5H3/t10-,11-/m0/s1
InChIKeyMXHJWCIOTXPLQZ-QWRGUYRKSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methoxyethyl)-1,2-dimethylpyrrolidine
CID 168881311
(2R)-1,2-dimethyl-2-propan-2-ylpyrrolidine
CID 170383943
2-butan-2-yl-1,2-dimethylpyrrolidine
CID 89025090
2-(difluoromethyl)-1,2-dimethylpiperidine
CID 123383049
1,8-dimethyl-1,8-diazaspiro[3.4]octane
CID 59187033
1-methyl-9-propan-2-yloxy-7-oxa-1-azaspiro[4.4]nonane
CID 177126154
2-ethyl-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 176568736
[1-methyl-2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanol
CID 169202555
2-(methoxymethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 176568360
3-methyl-3-(1-propan-2-yloxyethyl)bicyclo[3.3.1]nonane
CID 126615138
cyclohexane;2-propan-2-yloxypropane
CID 22558525
1-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethoxyphosphane;tungsten
CID 169041366

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The IUPAC name of (2S)-1,2-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine (CID 168995415) is (2S)-1,2-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine.
What is the SMILES notation for (2S)-1,2-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The canonical SMILES for (2S)-1,2-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine is CC(C)O[C@@H](C)[C@]1(C)CCCN1C.
What is the InChIKey of (2S)-1,2-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The InChIKey is MXHJWCIOTXPLQZ-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)13-10(3)11(4)7-6-8-12(11)5/h9-10H,6-8H2,1-5H3/t10-,11-/m0/s1.
What are the key properties of (2S)-1,2-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
(2S)-1,2-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine has a molecular weight of 185.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine is sourced from PubChem (CID 168995415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).