1-(2-ethoxyethyl)-2-methylpyrrolidine

C9H19NO — CID 175912703

IUPAC1-(2-ethoxyethyl)-2-methylpyrrolidine
SMILESCCOCCN1CCCC1C
InChIInChI=1S/C9H19NO/c1-3-11-8-7-10-6-4-5-9(10)2/h9H,3-8H2,1-2H3
InChIKeyAIWWTARCGZFVAV-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds4

About 1-(2-ethoxyethyl)-2-methylpyrrolidine

1-(2-ethoxyethyl)-2-methylpyrrolidine (PubChem CID 175912703) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-methylpyrrolidine
PubChem CID175912703
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(2-ethoxyethyl)-2-methylpyrrolidine
SMILESCCOCCN1CCCC1C
InChIInChI=1S/C9H19NO/c1-3-11-8-7-10-6-4-5-9(10)2/h9H,3-8H2,1-2H3
InChIKeyAIWWTARCGZFVAV-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-chloroethoxy)ethyl]-2-methylpyrrolidine
CID 63665888
[(2S)-1-(2-ethoxyethyl)pyrrolidin-2-yl]methanol
CID 112734321
(2R)-4-(cyclopentylmethyl)-1-(2-ethoxyethyl)-2-methylpiperazine
CID 124778699
2-[1-(2-ethoxyethyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79543479
1-(2-ethoxyethyl)-2-(ethoxymethyl)piperidine
CID 121012447
1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317
1-(2-ethoxyethyl)-2-methylpiperidine-4-carboxylic acid
CID 106744774
ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate
CID 62028361
N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581621
2-(bromomethyl)-1-(2-ethoxyethyl)piperidine
CID 80674315
1,3-bis[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidine
CID 69468960
(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine
CID 124826688

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2-methylpyrrolidine?
The IUPAC name of 1-(2-ethoxyethyl)-2-methylpyrrolidine (CID 175912703) is 1-(2-ethoxyethyl)-2-methylpyrrolidine.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-methylpyrrolidine?
The canonical SMILES for 1-(2-ethoxyethyl)-2-methylpyrrolidine is CCOCCN1CCCC1C.
What is the InChIKey of 1-(2-ethoxyethyl)-2-methylpyrrolidine?
The InChIKey is AIWWTARCGZFVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-11-8-7-10-6-4-5-9(10)2/h9H,3-8H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-2-methylpyrrolidine?
1-(2-ethoxyethyl)-2-methylpyrrolidine has a molecular weight of 157.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-methylpyrrolidine is sourced from PubChem (CID 175912703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).