(3R,4S)-3-ethyl-3,4-dimethylpyrrolidine

C8H17N — CID 130186897

IUPAC(3R,4S)-3-ethyl-3,4-dimethylpyrrolidine
SMILESCC[C@@]1(C)CNC[C@H]1C
InChIInChI=1S/C8H17N/c1-4-8(3)6-9-5-7(8)2/h7,9H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyNIVVLHGWZYWBET-SFYZADRCSA-N
MW127.23 g/mol
LogP1.64
Rot. Bonds1

About (3R,4S)-3-ethyl-3,4-dimethylpyrrolidine

(3R,4S)-3-ethyl-3,4-dimethylpyrrolidine (PubChem CID 130186897) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (3R,4S)-3-ethyl-3,4-dimethylpyrrolidine.

Molecular Properties

Compound Name(3R,4S)-3-ethyl-3,4-dimethylpyrrolidine
PubChem CID130186897
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(3R,4S)-3-ethyl-3,4-dimethylpyrrolidine
SMILESCC[C@@]1(C)CNC[C@H]1C
InChIInChI=1S/C8H17N/c1-4-8(3)6-9-5-7(8)2/h7,9H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyNIVVLHGWZYWBET-SFYZADRCSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3R,4S)-3-ethyl-3,4-dimethylpyrrolidine 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

3,4-dimethyl-3-[(2-methylazetidin-1-yl)methyl]pyrrolidine
CID 130578891
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
CID 524629
(6S)-2,2-diethyl-6-methylpiperazine
CID 82416009
(2R)-3-ethyl-2,3-dimethylazetidine
CID 146985830
2-ethyl-2,6-dimethylmorpholine
CID 65102213
(4R)-3,4-dimethyl-3-propan-2-ylpyrrolidine
CID 135170137
(3S,4S)-3,4-dimethyl-3-propan-2-ylpyrrolidine
CID 118444596
methanamine;7-methyl-5-azaspiro[2.4]heptane
CID 142211160
3-ethyl-3-methylpiperidine-4-carboxylic acid
CID 84654143
4,4-diethylpyrrolidin-3-amine
CID 149278511
1-ethyl-1,2,5-trimethylcyclohexane
CID 123642131

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-ethyl-3,4-dimethylpyrrolidine?
The IUPAC name of (3R,4S)-3-ethyl-3,4-dimethylpyrrolidine (CID 130186897) is (3R,4S)-3-ethyl-3,4-dimethylpyrrolidine.
What is the SMILES notation for (3R,4S)-3-ethyl-3,4-dimethylpyrrolidine?
The canonical SMILES for (3R,4S)-3-ethyl-3,4-dimethylpyrrolidine is CC[C@@]1(C)CNC[C@H]1C.
What is the InChIKey of (3R,4S)-3-ethyl-3,4-dimethylpyrrolidine?
The InChIKey is NIVVLHGWZYWBET-SFYZADRCSA-N. The full InChI is InChI=1S/C8H17N/c1-4-8(3)6-9-5-7(8)2/h7,9H,4-6H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of (3R,4S)-3-ethyl-3,4-dimethylpyrrolidine?
(3R,4S)-3-ethyl-3,4-dimethylpyrrolidine has a molecular weight of 127.23 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-ethyl-3,4-dimethylpyrrolidine is sourced from PubChem (CID 130186897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).