3-tert-butyl-1-methylpyrrolidine

C9H19N — CID 22972486

IUPAC3-tert-butyl-1-methylpyrrolidine
SMILESCN1CCC(C(C)(C)C)C1
InChIInChI=1S/C9H19N/c1-9(2,3)8-5-6-10(4)7-8/h8H,5-7H2,1-4H3
InChIKeyCXSNDAQNFNUDHS-UHFFFAOYSA-N
MW141.26 g/mol
LogP1.98
Rot. Bonds

About 3-tert-butyl-1-methylpyrrolidine

3-tert-butyl-1-methylpyrrolidine (PubChem CID 22972486) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3-tert-butyl-1-methylpyrrolidine.

Molecular Properties

Compound Name3-tert-butyl-1-methylpyrrolidine
PubChem CID22972486
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name3-tert-butyl-1-methylpyrrolidine
SMILESCN1CCC(C(C)(C)C)C1
InChIInChI=1S/C9H19N/c1-9(2,3)8-5-6-10(4)7-8/h8H,5-7H2,1-4H3
InChIKeyCXSNDAQNFNUDHS-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methylpyrrolidine?
The IUPAC name of 3-tert-butyl-1-methylpyrrolidine (CID 22972486) is 3-tert-butyl-1-methylpyrrolidine.
What is the SMILES notation for 3-tert-butyl-1-methylpyrrolidine?
The canonical SMILES for 3-tert-butyl-1-methylpyrrolidine is CN1CCC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-methylpyrrolidine?
The InChIKey is CXSNDAQNFNUDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-9(2,3)8-5-6-10(4)7-8/h8H,5-7H2,1-4H3.
What are the key properties of 3-tert-butyl-1-methylpyrrolidine?
3-tert-butyl-1-methylpyrrolidine has a molecular weight of 141.26 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methylpyrrolidine is sourced from PubChem (CID 22972486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).