2,3-dimethylpyrrolidine;ethane

C8H19N — CID 90972313

IUPAC2,3-dimethylpyrrolidine;ethane
SMILESCC.CC1CCNC1C
InChIInChI=1S/C6H13N.C2H6/c1-5-3-4-7-6(5)2;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyGTSRJTMNMNSURH-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.03
Rot. Bonds

About 2,3-dimethylpyrrolidine;ethane

2,3-dimethylpyrrolidine;ethane (PubChem CID 90972313) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is 2,3-dimethylpyrrolidine;ethane.

Molecular Properties

Compound Name2,3-dimethylpyrrolidine;ethane
PubChem CID90972313
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name2,3-dimethylpyrrolidine;ethane
SMILESCC.CC1CCNC1C
InChIInChI=1S/C6H13N.C2H6/c1-5-3-4-7-6(5)2;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyGTSRJTMNMNSURH-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-2,3-dimethylpiperidine
CID 118133422
(2S,3S)-2,3-dimethylpiperazine
CID 51614849
3-iodo-2-methylpyrrolidine
CID 118329704
(2R,3S)-2-methylpyrrolidin-3-ol
CID 55287364
ethane;(3-methylpyrrolidin-2-yl)methanamine
CID 177053684
(2S,3R)-2-methylpyrrolidin-3-ol;hydrochloride
CID 67314682
ethane;(2S,3S)-3-methylpyrrolidine-2-carboxylic acid
CID 161011942
3-methoxy-2-methylpyrrolidine
CID 105427057
N,N,2-trimethylpyrrolidin-3-amine
CID 54327698
(2S,3R,4R)-2,3-dimethylpiperidin-4-ol
CID 7238900
4,5-dimethylazepane
CID 83679426
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpyrrolidine;ethane?
The IUPAC name of 2,3-dimethylpyrrolidine;ethane (CID 90972313) is 2,3-dimethylpyrrolidine;ethane.
What is the SMILES notation for 2,3-dimethylpyrrolidine;ethane?
The canonical SMILES for 2,3-dimethylpyrrolidine;ethane is CC.CC1CCNC1C.
What is the InChIKey of 2,3-dimethylpyrrolidine;ethane?
The InChIKey is GTSRJTMNMNSURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C2H6/c1-5-3-4-7-6(5)2;1-2/h5-7H,3-4H2,1-2H3;1-2H3.
What are the key properties of 2,3-dimethylpyrrolidine;ethane?
2,3-dimethylpyrrolidine;ethane has a molecular weight of 129.25 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpyrrolidine;ethane is sourced from PubChem (CID 90972313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).