2-butyl-1-methoxy-2-methylpyrrolidine

C10H21NO — CID 174675715

IUPAC2-butyl-1-methoxy-2-methylpyrrolidine
SMILESCCCCC1(C)CCCN1OC
InChIInChI=1S/C10H21NO/c1-4-5-7-10(2)8-6-9-11(10)12-3/h4-9H2,1-3H3
InChIKeyWKSMTSMKPKYBLF-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.59
Rot. Bonds4

About 2-butyl-1-methoxy-2-methylpyrrolidine

2-butyl-1-methoxy-2-methylpyrrolidine (PubChem CID 174675715) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-butyl-1-methoxy-2-methylpyrrolidine.

Molecular Properties

Compound Name2-butyl-1-methoxy-2-methylpyrrolidine
PubChem CID174675715
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-butyl-1-methoxy-2-methylpyrrolidine
SMILESCCCCC1(C)CCCN1OC
InChIInChI=1S/C10H21NO/c1-4-5-7-10(2)8-6-9-11(10)12-3/h4-9H2,1-3H3
InChIKeyWKSMTSMKPKYBLF-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-methoxy-2-methylpyrrolidine?
The IUPAC name of 2-butyl-1-methoxy-2-methylpyrrolidine (CID 174675715) is 2-butyl-1-methoxy-2-methylpyrrolidine.
What is the SMILES notation for 2-butyl-1-methoxy-2-methylpyrrolidine?
The canonical SMILES for 2-butyl-1-methoxy-2-methylpyrrolidine is CCCCC1(C)CCCN1OC.
What is the InChIKey of 2-butyl-1-methoxy-2-methylpyrrolidine?
The InChIKey is WKSMTSMKPKYBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-7-10(2)8-6-9-11(10)12-3/h4-9H2,1-3H3.
What are the key properties of 2-butyl-1-methoxy-2-methylpyrrolidine?
2-butyl-1-methoxy-2-methylpyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-methoxy-2-methylpyrrolidine is sourced from PubChem (CID 174675715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).