3-tert-butyl-1,4-dimethylpyrrolidine

C10H21N — CID 58307597

IUPAC3-tert-butyl-1,4-dimethylpyrrolidine
SMILESCC1CN(C)CC1C(C)(C)C
InChIInChI=1S/C10H21N/c1-8-6-11(5)7-9(8)10(2,3)4/h8-9H,6-7H2,1-5H3
InChIKeyLYLPPTALHMXNFG-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.23
Rot. Bonds

About 3-tert-butyl-1,4-dimethylpyrrolidine

3-tert-butyl-1,4-dimethylpyrrolidine (PubChem CID 58307597) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 3-tert-butyl-1,4-dimethylpyrrolidine.

Molecular Properties

Compound Name3-tert-butyl-1,4-dimethylpyrrolidine
PubChem CID58307597
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name3-tert-butyl-1,4-dimethylpyrrolidine
SMILESCC1CN(C)CC1C(C)(C)C
InChIInChI=1S/C10H21N/c1-8-6-11(5)7-9(8)10(2,3)4/h8-9H,6-7H2,1-5H3
InChIKeyLYLPPTALHMXNFG-UHFFFAOYSA-N
XLogP2.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-tert-butyl-1,4-dimethylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,4-dimethylpyrrolidine?
The IUPAC name of 3-tert-butyl-1,4-dimethylpyrrolidine (CID 58307597) is 3-tert-butyl-1,4-dimethylpyrrolidine.
What is the SMILES notation for 3-tert-butyl-1,4-dimethylpyrrolidine?
The canonical SMILES for 3-tert-butyl-1,4-dimethylpyrrolidine is CC1CN(C)CC1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-1,4-dimethylpyrrolidine?
The InChIKey is LYLPPTALHMXNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-8-6-11(5)7-9(8)10(2,3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of 3-tert-butyl-1,4-dimethylpyrrolidine?
3-tert-butyl-1,4-dimethylpyrrolidine has a molecular weight of 155.28 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,4-dimethylpyrrolidine is sourced from PubChem (CID 58307597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).