1-(2-butan-2-yloxyethyl)pyrrolidine

C10H21NO — CID 67965895

IUPAC1-(2-butan-2-yloxyethyl)pyrrolidine
SMILESCCC(C)OCCN1CCCC1
InChIInChI=1S/C10H21NO/c1-3-10(2)12-9-8-11-6-4-5-7-11/h10H,3-9H2,1-2H3
InChIKeyIVJVMRHDTXNOAN-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.90
Rot. Bonds5

About 1-(2-butan-2-yloxyethyl)pyrrolidine

1-(2-butan-2-yloxyethyl)pyrrolidine (PubChem CID 67965895) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(2-butan-2-yloxyethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-butan-2-yloxyethyl)pyrrolidine
PubChem CID67965895
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(2-butan-2-yloxyethyl)pyrrolidine
SMILESCCC(C)OCCN1CCCC1
InChIInChI=1S/C10H21NO/c1-3-10(2)12-9-8-11-6-4-5-7-11/h10H,3-9H2,1-2H3
InChIKeyIVJVMRHDTXNOAN-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

Plegarol
CID 120175
1-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]pyrrolidine
CID 479962
Pyrrolidinium, 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methyl-
CID 479963
Oxazolidine, 2-ethyl-3-isopropyl-
CID 247387
Choline, beta-ethyl-, propylether, hydrochloride
CID 115403
Pyrrolidinium, 1-ethyl-1-(2-(2-(ethyldimethylammonio)ethoxy)ethyl)-, dibromide
CID 3048198
Pyrrolidinium, 1-methyl-1-(2-(2-(trimethylammonio)ethoxy)ethyl)-, diiodide
CID 3048209
1-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]-1-methylpyrrolidin-1-ium iodide
CID 44265647
Oxazolidine, 2,2-diethyl-3-methyl-
CID 575076
3-(Hex-2-yn-1-yl)-5-methyl-1,3-oxazolidine
CID 129872569
1-(2-Methoxyethyl)-1-methylpyrrolidin-1-ium
CID 12157913
1-(2-Methoxyethyl)pyrrolidine
CID 12183844

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-yloxyethyl)pyrrolidine?
The IUPAC name of 1-(2-butan-2-yloxyethyl)pyrrolidine (CID 67965895) is 1-(2-butan-2-yloxyethyl)pyrrolidine.
What is the SMILES notation for 1-(2-butan-2-yloxyethyl)pyrrolidine?
The canonical SMILES for 1-(2-butan-2-yloxyethyl)pyrrolidine is CCC(C)OCCN1CCCC1.
What is the InChIKey of 1-(2-butan-2-yloxyethyl)pyrrolidine?
The InChIKey is IVJVMRHDTXNOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-10(2)12-9-8-11-6-4-5-7-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-(2-butan-2-yloxyethyl)pyrrolidine?
1-(2-butan-2-yloxyethyl)pyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-yloxyethyl)pyrrolidine is sourced from PubChem (CID 67965895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).