2-tert-butyl-1-methylpyrrolidine

C9H19N — CID 20588626

IUPAC2-tert-butyl-1-methylpyrrolidine
SMILESCN1CCCC1C(C)(C)C
InChIInChI=1S/C9H19N/c1-9(2,3)8-6-5-7-10(8)4/h8H,5-7H2,1-4H3
InChIKeyWQSWGYXEWBYSAT-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.13
Rot. Bonds

About 2-tert-butyl-1-methylpyrrolidine

2-tert-butyl-1-methylpyrrolidine (PubChem CID 20588626) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 2-tert-butyl-1-methylpyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-1-methylpyrrolidine
PubChem CID20588626
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2-tert-butyl-1-methylpyrrolidine
SMILESCN1CCCC1C(C)(C)C
InChIInChI=1S/C9H19N/c1-9(2,3)8-6-5-7-10(8)4/h8H,5-7H2,1-4H3
InChIKeyWQSWGYXEWBYSAT-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methylpyrrolidine?
The IUPAC name of 2-tert-butyl-1-methylpyrrolidine (CID 20588626) is 2-tert-butyl-1-methylpyrrolidine.
What is the SMILES notation for 2-tert-butyl-1-methylpyrrolidine?
The canonical SMILES for 2-tert-butyl-1-methylpyrrolidine is CN1CCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-methylpyrrolidine?
The InChIKey is WQSWGYXEWBYSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-9(2,3)8-6-5-7-10(8)4/h8H,5-7H2,1-4H3.
What are the key properties of 2-tert-butyl-1-methylpyrrolidine?
2-tert-butyl-1-methylpyrrolidine has a molecular weight of 141.26 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methylpyrrolidine is sourced from PubChem (CID 20588626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).