(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

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

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

Launch Full Analysis

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).