(3R)-1,3-dimethylpyrrolidine;ethane

C8H19N — CID 90814408

IUPAC(3R)-1,3-dimethylpyrrolidine;ethane
SMILESCC.C[C@@H]1CCN(C)C1
InChIInChI=1S/C6H13N.C2H6/c1-6-3-4-7(2)5-6;1-2/h6H,3-5H2,1-2H3;1-2H3/t6-;/m1./s1
InChIKeyBTZAFKCAMMCRQD-FYZOBXCZSA-N
MW129.25 g/mol
LogP1.98
Rot. Bonds

About (3R)-1,3-dimethylpyrrolidine;ethane

(3R)-1,3-dimethylpyrrolidine;ethane (PubChem CID 90814408) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is (3R)-1,3-dimethylpyrrolidine;ethane.

Molecular Properties

Compound Name(3R)-1,3-dimethylpyrrolidine;ethane
PubChem CID90814408
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name(3R)-1,3-dimethylpyrrolidine;ethane
SMILESCC.C[C@@H]1CCN(C)C1
InChIInChI=1S/C6H13N.C2H6/c1-6-3-4-7(2)5-6;1-2/h6H,3-5H2,1-2H3;1-2H3/t6-;/m1./s1
InChIKeyBTZAFKCAMMCRQD-FYZOBXCZSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R)-1,3-dimethylpyrrolidine;ethane 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

(3R)-1,3-dimethylpyrrolidine
CID 58412242
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
ethane;1,3,4-trimethylpiperidine
CID 142222872
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-dimethylpyrrolidine;5-ethenyl-2-methyl-2H-pyrrole
CID 177054040
1,3,4-trimethylpiperidine
CID 14454423

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-dimethylpyrrolidine;ethane?
The IUPAC name of (3R)-1,3-dimethylpyrrolidine;ethane (CID 90814408) is (3R)-1,3-dimethylpyrrolidine;ethane.
What is the SMILES notation for (3R)-1,3-dimethylpyrrolidine;ethane?
The canonical SMILES for (3R)-1,3-dimethylpyrrolidine;ethane is CC.C[C@@H]1CCN(C)C1.
What is the InChIKey of (3R)-1,3-dimethylpyrrolidine;ethane?
The InChIKey is BTZAFKCAMMCRQD-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H13N.C2H6/c1-6-3-4-7(2)5-6;1-2/h6H,3-5H2,1-2H3;1-2H3/t6-;/m1./s1.
What are the key properties of (3R)-1,3-dimethylpyrrolidine;ethane?
(3R)-1,3-dimethylpyrrolidine;ethane has a molecular weight of 129.25 g/mol, XLogP of 1.98, 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;ethane is sourced from PubChem (CID 90814408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).