2-(methoxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine

C12H25NO2 — CID 59148046

IUPAC2-(methoxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine
SMILESCOCC1CCCN1CCCOC(C)C
InChIInChI=1S/C12H25NO2/c1-11(2)15-9-5-8-13-7-4-6-12(13)10-14-3/h11-12H,4-10H2,1-3H3
InChIKeyHALYCOJWQRKJKY-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.91
Rot. Bonds7

About 2-(methoxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine

2-(methoxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine (PubChem CID 59148046) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine.

Molecular Properties

Compound Name2-(methoxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine
PubChem CID59148046
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-(methoxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine
SMILESCOCC1CCCN1CCCOC(C)C
InChIInChI=1S/C12H25NO2/c1-11(2)15-9-5-8-13-7-4-6-12(13)10-14-3/h11-12H,4-10H2,1-3H3
InChIKeyHALYCOJWQRKJKY-UHFFFAOYSA-N
XLogP1.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine?
The IUPAC name of 2-(methoxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine (CID 59148046) is 2-(methoxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine.
What is the SMILES notation for 2-(methoxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine?
The canonical SMILES for 2-(methoxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine is COCC1CCCN1CCCOC(C)C.
What is the InChIKey of 2-(methoxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine?
The InChIKey is HALYCOJWQRKJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2)15-9-5-8-13-7-4-6-12(13)10-14-3/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine?
2-(methoxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine has a molecular weight of 215.34 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine is sourced from PubChem (CID 59148046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).