1-Methyl-2-(1-methylpyrrolidin-3-yl)pyrrolidine

Details

• Internal ID: 0ec97886-0d7c-4d05-a9f1-a0c6ad629ef8
• Taxonomy: Organoheterocyclic compounds > Pyrrolidines > N-alkylpyrrolidines
• IUPAC Name: 1-methyl-2-(1-methylpyrrolidin-3-yl)pyrrolidine
• SMILES (Canonical): CN1CCC(C1)C2CCCN2C
• SMILES (Isomeric): CN1CCC(C1)C2CCCN2C
• InChI: InChI=1S/C10H20N2/c1-11-7-5-9(8-11)10-4-3-6-12(10)2/h9-10H,3-8H2,1-2H3
• InChI Key: LGGCPJTUUHWHRJ-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₂₀N₂
• Molecular Weight: 168.28 g/mol
• Exact Mass: 168.162648646 g/mol
• Topological Polar Surface Area (TPSA): 6.50 Ų
• XlogP: 1.20

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5203	P33316	dUTP pyrophosphatase	94.48%	99.18%
CHEMBL253	P34972	Cannabinoid CB2 receptor	93.60%	97.25%
CHEMBL238	Q01959	Dopamine transporter	90.84%	95.88%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.44%	96.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	89.31%	95.89%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	86.40%	93.04%
CHEMBL4777	P25929	Neuropeptide Y receptor type 1	85.53%	96.67%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.62%	95.56%
CHEMBL2140	P48775	Tryptophan 2,3-dioxygenase	82.55%	98.46%
CHEMBL3746	P80365	11-beta-hydroxysteroid dehydrogenase 2	82.09%	94.78%
CHEMBL3155	P34969	Serotonin 7 (5-HT7) receptor	81.65%	90.71%
CHEMBL6136	O60341	Lysine-specific histone demethylase 1	80.84%	95.58%

Plants that contains it

• Nicotiana tabacum

Cross-Links

• PubChem: 58400596
• LOTUS: LTS0044564
• wikiData: Q105151334