4-tert-butyl-3,3-dimethylpyrrolidine

C10H21N — CID 121207422

IUPAC4-tert-butyl-3,3-dimethylpyrrolidine
SMILESCC(C)(C)C1CNCC1(C)C
InChIInChI=1S/C10H21N/c1-9(2,3)8-6-11-7-10(8,4)5/h8,11H,6-7H2,1-5H3
InChIKeyBNUKDENYLMGGCP-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.28
Rot. Bonds

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

4-tert-butyl-3,3-dimethylpyrrolidine (PubChem CID 121207422) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 4-tert-butyl-3,3-dimethylpyrrolidine.

Molecular Properties

Compound Name4-tert-butyl-3,3-dimethylpyrrolidine
PubChem CID121207422
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name4-tert-butyl-3,3-dimethylpyrrolidine
SMILESCC(C)(C)C1CNCC1(C)C
InChIInChI=1S/C10H21N/c1-9(2,3)8-6-11-7-10(8,4)5/h8,11H,6-7H2,1-5H3
InChIKeyBNUKDENYLMGGCP-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-3-methylpyrrolidin-3-ol
CID 115012307
[(3R,4S)-3-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 96868590
3,3-dimethyl-4-(trifluoromethyl)piperidine
CID 86775311
(3S,4S)-5,5-dimethylpiperidine-3,4-diol
CID 11550031
7-tert-butyl-2-azaspiro[3.3]heptane
CID 171431710
4,4-dimethylpyrrolidine-3-carbonitrile
CID 121199312
7,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrazolo[4,3-c]pyridine
CID 170905784
(4S)-3,3-dimethyl-4-prop-1-en-2-ylpyrrolidine
CID 166075509
tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate
CID 45092197
7,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[3,2-c]pyridine
CID 167138391
4-tert-butyl-5,5-diethyl-2-methoxypiperidine
CID 167283914
1,2-ditert-butyl-1-methylcyclopropane
CID 58388728

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,3-dimethylpyrrolidine?
The IUPAC name of 4-tert-butyl-3,3-dimethylpyrrolidine (CID 121207422) is 4-tert-butyl-3,3-dimethylpyrrolidine.
What is the SMILES notation for 4-tert-butyl-3,3-dimethylpyrrolidine?
The canonical SMILES for 4-tert-butyl-3,3-dimethylpyrrolidine is CC(C)(C)C1CNCC1(C)C.
What is the InChIKey of 4-tert-butyl-3,3-dimethylpyrrolidine?
The InChIKey is BNUKDENYLMGGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-9(2,3)8-6-11-7-10(8,4)5/h8,11H,6-7H2,1-5H3.
What are the key properties of 4-tert-butyl-3,3-dimethylpyrrolidine?
4-tert-butyl-3,3-dimethylpyrrolidine has a molecular weight of 155.28 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,3-dimethylpyrrolidine is sourced from PubChem (CID 121207422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).