(3R)-1,3-dimethylpyrrolidine

C6H13N — CID 58412242

IUPAC(3R)-1,3-dimethylpyrrolidine
SMILESC[C@@H]1CCN(C)C1
InChIInChI=1S/C6H13N/c1-6-3-4-7(2)5-6/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyIGNGFGXAWDQJGP-ZCFIWIBFSA-N
MW99.18 g/mol
LogP0.96
Rot. Bonds

About (3R)-1,3-dimethylpyrrolidine

(3R)-1,3-dimethylpyrrolidine (PubChem CID 58412242) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is (3R)-1,3-dimethylpyrrolidine.

Molecular Properties

Compound Name(3R)-1,3-dimethylpyrrolidine
PubChem CID58412242
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name(3R)-1,3-dimethylpyrrolidine
SMILESC[C@@H]1CCN(C)C1
InChIInChI=1S/C6H13N/c1-6-3-4-7(2)5-6/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyIGNGFGXAWDQJGP-ZCFIWIBFSA-N
XLogP0.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1,3-dimethylpyrrolidine;ethane
CID 90814408
1,3-dimethylpyrrolidine;propan-2-ol
CID 166075610
(3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol
CID 159420555
(3R)-1,3-dimethylpyrrolidine;methoxyethane
CID 168995802
(3R)-1,3-dimethylpiperidine
CID 23277968
(3S)-1,3-dimethylpiperidine
CID 637971
1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane
CID 159125347
4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine
CID 126993329
1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane
CID 160580121
1,3,4-trimethylpiperidine
CID 14454423
(3S,4R)-1,3,4-trimethylpiperidine
CID 14454424
ethane;1,3,4-trimethylpiperidine
CID 142222872

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-dimethylpyrrolidine?
The IUPAC name of (3R)-1,3-dimethylpyrrolidine (CID 58412242) is (3R)-1,3-dimethylpyrrolidine.
What is the SMILES notation for (3R)-1,3-dimethylpyrrolidine?
The canonical SMILES for (3R)-1,3-dimethylpyrrolidine is C[C@@H]1CCN(C)C1.
What is the InChIKey of (3R)-1,3-dimethylpyrrolidine?
The InChIKey is IGNGFGXAWDQJGP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13N/c1-6-3-4-7(2)5-6/h6H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of (3R)-1,3-dimethylpyrrolidine?
(3R)-1,3-dimethylpyrrolidine has a molecular weight of 99.18 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-dimethylpyrrolidine is sourced from PubChem (CID 58412242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).