1-(1-ethoxypropan-2-yl)-3-methylpyrrolidine

C10H21NO — CID 123420173

IUPAC1-(1-ethoxypropan-2-yl)-3-methylpyrrolidine
SMILESCCOCC(C)N1CCC(C)C1
InChIInChI=1S/C10H21NO/c1-4-12-8-10(3)11-6-5-9(2)7-11/h9-10H,4-8H2,1-3H3
InChIKeyQFPFPLQSLLSJHR-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.75
Rot. Bonds4

About 1-(1-ethoxypropan-2-yl)-3-methylpyrrolidine

1-(1-ethoxypropan-2-yl)-3-methylpyrrolidine (PubChem CID 123420173) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(1-ethoxypropan-2-yl)-3-methylpyrrolidine.

Molecular Properties

Compound Name1-(1-ethoxypropan-2-yl)-3-methylpyrrolidine
PubChem CID123420173
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(1-ethoxypropan-2-yl)-3-methylpyrrolidine
SMILESCCOCC(C)N1CCC(C)C1
InChIInChI=1S/C10H21NO/c1-4-12-8-10(3)11-6-5-9(2)7-11/h9-10H,4-8H2,1-3H3
InChIKeyQFPFPLQSLLSJHR-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxypropan-2-yl)-3-methylpiperazine
CID 64953136
3-(3-methylpyrrolidin-1-yl)butan-1-amine
CID 61224022
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
2-amino-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanamide
CID 64711973
4-methoxy-3-methyl-2-(3-methylpyrrolidin-1-yl)butan-1-amine
CID 116501647
2-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62570690
N-tert-butyl-4-(3-methylpyrrolidin-1-yl)pentan-1-amine
CID 62426058
ethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate
CID 64710612
1-(2-ethoxyethyl)-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111894295
1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111221785
1-(1-ethoxypropan-2-yl)-2,5-dimethylpiperazine
CID 64938351
3-methoxy-2-(3-methylpyrrolidin-1-yl)propanoic acid
CID 103224568

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxypropan-2-yl)-3-methylpyrrolidine?
The IUPAC name of 1-(1-ethoxypropan-2-yl)-3-methylpyrrolidine (CID 123420173) is 1-(1-ethoxypropan-2-yl)-3-methylpyrrolidine.
What is the SMILES notation for 1-(1-ethoxypropan-2-yl)-3-methylpyrrolidine?
The canonical SMILES for 1-(1-ethoxypropan-2-yl)-3-methylpyrrolidine is CCOCC(C)N1CCC(C)C1.
What is the InChIKey of 1-(1-ethoxypropan-2-yl)-3-methylpyrrolidine?
The InChIKey is QFPFPLQSLLSJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-12-8-10(3)11-6-5-9(2)7-11/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(1-ethoxypropan-2-yl)-3-methylpyrrolidine?
1-(1-ethoxypropan-2-yl)-3-methylpyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxypropan-2-yl)-3-methylpyrrolidine is sourced from PubChem (CID 123420173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).