1-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine

C10H21NO — CID 58721733

IUPAC1-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine
SMILESCCN1CCC(OC(C)(C)C)C1
InChIInChI=1S/C10H21NO/c1-5-11-7-6-9(8-11)12-10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyZNKNTYBIAUXRFA-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.90
Rot. Bonds2

About 1-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine

1-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine (PubChem CID 58721733) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine.

Molecular Properties

Compound Name1-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine
PubChem CID58721733
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine
SMILESCCN1CCC(OC(C)(C)C)C1
InChIInChI=1S/C10H21NO/c1-5-11-7-6-9(8-11)12-10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyZNKNTYBIAUXRFA-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine
CID 135165028
[(3R)-1-ethylpyrrolidin-3-yl] 2,2-dimethylpropanoate
CID 97355933
1-ethyl-3-methylsulfanyloxypyrrolidine
CID 143488683
ethane;1-ethyl-3-methoxypyrrolidine;formic acid
CID 162750687
1-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]azetidine
CID 166567369
1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 59522786
O-[2-(1-ethylpyrrolidin-3-yl)propan-2-yl]hydroxylamine
CID 117104637
1-(2-ethoxyethyl)-3-[(2-methylpropan-2-yl)oxy]azetidine
CID 166567381
(3R)-4-(2,2-dimethylpropyl)-1-ethylpiperidin-3-ol
CID 58286758
3-[(2-methylpropan-2-yl)oxy]-1-(oxetan-3-yl)pyrrolidine
CID 149071581
ethane;N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]hexan-1-amine
CID 165146040
4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-(2-piperidin-1-ylethyl)piperidine
CID 158335840

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine?
The IUPAC name of 1-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine (CID 58721733) is 1-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine.
What is the SMILES notation for 1-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine?
The canonical SMILES for 1-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine is CCN1CCC(OC(C)(C)C)C1.
What is the InChIKey of 1-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine?
The InChIKey is ZNKNTYBIAUXRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-11-7-6-9(8-11)12-10(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of 1-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine?
1-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine is sourced from PubChem (CID 58721733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).