2-(1-methoxypropyl)-1,4-dimethylpyrrolidine

C10H21NO — CID 22897782

IUPAC2-(1-methoxypropyl)-1,4-dimethylpyrrolidine
SMILESCCC(OC)C1CC(C)CN1C
InChIInChI=1S/C10H21NO/c1-5-10(12-4)9-6-8(2)7-11(9)3/h8-10H,5-7H2,1-4H3
InChIKeyCIGKRYMNMAYQHF-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.75
Rot. Bonds3

About 2-(1-methoxypropyl)-1,4-dimethylpyrrolidine

2-(1-methoxypropyl)-1,4-dimethylpyrrolidine (PubChem CID 22897782) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-(1-methoxypropyl)-1,4-dimethylpyrrolidine.

Molecular Properties

Compound Name2-(1-methoxypropyl)-1,4-dimethylpyrrolidine
PubChem CID22897782
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-(1-methoxypropyl)-1,4-dimethylpyrrolidine
SMILESCCC(OC)C1CC(C)CN1C
InChIInChI=1S/C10H21NO/c1-5-10(12-4)9-6-8(2)7-11(9)3/h8-10H,5-7H2,1-4H3
InChIKeyCIGKRYMNMAYQHF-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 2-(1-methoxypropyl)-1,4-dimethylpyrrolidine?
The IUPAC name of 2-(1-methoxypropyl)-1,4-dimethylpyrrolidine (CID 22897782) is 2-(1-methoxypropyl)-1,4-dimethylpyrrolidine.
What is the SMILES notation for 2-(1-methoxypropyl)-1,4-dimethylpyrrolidine?
The canonical SMILES for 2-(1-methoxypropyl)-1,4-dimethylpyrrolidine is CCC(OC)C1CC(C)CN1C.
What is the InChIKey of 2-(1-methoxypropyl)-1,4-dimethylpyrrolidine?
The InChIKey is CIGKRYMNMAYQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-10(12-4)9-6-8(2)7-11(9)3/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-(1-methoxypropyl)-1,4-dimethylpyrrolidine?
2-(1-methoxypropyl)-1,4-dimethylpyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropyl)-1,4-dimethylpyrrolidine is sourced from PubChem (CID 22897782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).