1-butyl-2,2,4,4-tetramethylpyrrolidine

C12H25N — CID 143377523

IUPAC1-butyl-2,2,4,4-tetramethylpyrrolidine
SMILESCCCCN1CC(C)(C)CC1(C)C
InChIInChI=1S/C12H25N/c1-6-7-8-13-10-11(2,3)9-12(13,4)5/h6-10H2,1-5H3
InChIKeyZMRXXLWDTQSCJA-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.30
Rot. Bonds3

About 1-butyl-2,2,4,4-tetramethylpyrrolidine

1-butyl-2,2,4,4-tetramethylpyrrolidine (PubChem CID 143377523) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-butyl-2,2,4,4-tetramethylpyrrolidine.

Molecular Properties

Compound Name1-butyl-2,2,4,4-tetramethylpyrrolidine
PubChem CID143377523
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-butyl-2,2,4,4-tetramethylpyrrolidine
SMILESCCCCN1CC(C)(C)CC1(C)C
InChIInChI=1S/C12H25N/c1-6-7-8-13-10-11(2,3)9-12(13,4)5/h6-10H2,1-5H3
InChIKeyZMRXXLWDTQSCJA-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,2,4,4-tetramethylpyrrolidine?
The IUPAC name of 1-butyl-2,2,4,4-tetramethylpyrrolidine (CID 143377523) is 1-butyl-2,2,4,4-tetramethylpyrrolidine.
What is the SMILES notation for 1-butyl-2,2,4,4-tetramethylpyrrolidine?
The canonical SMILES for 1-butyl-2,2,4,4-tetramethylpyrrolidine is CCCCN1CC(C)(C)CC1(C)C.
What is the InChIKey of 1-butyl-2,2,4,4-tetramethylpyrrolidine?
The InChIKey is ZMRXXLWDTQSCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-6-7-8-13-10-11(2,3)9-12(13,4)5/h6-10H2,1-5H3.
What are the key properties of 1-butyl-2,2,4,4-tetramethylpyrrolidine?
1-butyl-2,2,4,4-tetramethylpyrrolidine has a molecular weight of 183.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,2,4,4-tetramethylpyrrolidine is sourced from PubChem (CID 143377523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).