1-tert-butyl-2,2-dimethylpyrrolidine

C10H21N — CID 58450080

IUPAC1-tert-butyl-2,2-dimethylpyrrolidine
SMILESCC(C)(C)N1CCCC1(C)C
InChIInChI=1S/C10H21N/c1-9(2,3)11-8-6-7-10(11,4)5/h6-8H2,1-5H3
InChIKeyWKGUSBJIQRWKCI-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.66
Rot. Bonds

About 1-tert-butyl-2,2-dimethylpyrrolidine

1-tert-butyl-2,2-dimethylpyrrolidine (PubChem CID 58450080) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 1-tert-butyl-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-2,2-dimethylpyrrolidine
PubChem CID58450080
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name1-tert-butyl-2,2-dimethylpyrrolidine
SMILESCC(C)(C)N1CCCC1(C)C
InChIInChI=1S/C10H21N/c1-9(2,3)11-8-6-7-10(11,4)5/h6-8H2,1-5H3
InChIKeyWKGUSBJIQRWKCI-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-2,2-dimethylpiperidine
CID 161492133
2-(2,2-dimethylpyrrolidin-1-yl)-2,5,5-trimethylhexan-1-amine
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1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane
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(4S)-1-tert-butyl-2,2,4-trimethylpiperidine
CID 177123867
1-tert-butyl-1-azaspiro[3.5]nonane
CID 118157692
1-tert-butyl-3,3-dimethylpiperidine
CID 14356856
1-tert-butyl-2,3,3-trimethylpiperidine
CID 134197501
1,4-ditert-butyl-5,5,7-trimethyl-1,4-diazocane
CID 138627615
6-tert-butyl-2-oxa-6-azaspiro[4.5]decane
CID 162462248
1,2-ditert-butylpyrazolidine
CID 5242023
1-tert-butyl-2-ethynyl-2-phenylpyrrolidine
CID 158569826
1-tert-butyl-3-ethyl-3-(fluoromethyl)piperidine
CID 175425681

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,2-dimethylpyrrolidine?
The IUPAC name of 1-tert-butyl-2,2-dimethylpyrrolidine (CID 58450080) is 1-tert-butyl-2,2-dimethylpyrrolidine.
What is the SMILES notation for 1-tert-butyl-2,2-dimethylpyrrolidine?
The canonical SMILES for 1-tert-butyl-2,2-dimethylpyrrolidine is CC(C)(C)N1CCCC1(C)C.
What is the InChIKey of 1-tert-butyl-2,2-dimethylpyrrolidine?
The InChIKey is WKGUSBJIQRWKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-9(2,3)11-8-6-7-10(11,4)5/h6-8H2,1-5H3.
What are the key properties of 1-tert-butyl-2,2-dimethylpyrrolidine?
1-tert-butyl-2,2-dimethylpyrrolidine has a molecular weight of 155.28 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,2-dimethylpyrrolidine is sourced from PubChem (CID 58450080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).