1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine

C10H21NO — CID 22960576

IUPAC1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine
SMILESCC(C)OCCC1CCN(C)C1
InChIInChI=1S/C10H21NO/c1-9(2)12-7-5-10-4-6-11(3)8-10/h9-10H,4-8H2,1-3H3
InChIKeyQOKTUVWEQMCQRN-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.75
Rot. Bonds4

About 1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine

1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine (PubChem CID 22960576) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine
PubChem CID22960576
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine
SMILESCC(C)OCCC1CCN(C)C1
InChIInChI=1S/C10H21NO/c1-9(2)12-7-5-10-4-6-11(3)8-10/h9-10H,4-8H2,1-3H3
InChIKeyQOKTUVWEQMCQRN-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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine?
The IUPAC name of 1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine (CID 22960576) is 1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine.
What is the SMILES notation for 1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine?
The canonical SMILES for 1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine is CC(C)OCCC1CCN(C)C1.
What is the InChIKey of 1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine?
The InChIKey is QOKTUVWEQMCQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)12-7-5-10-4-6-11(3)8-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine?
1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine 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-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine is sourced from PubChem (CID 22960576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).