3-butan-2-yl-1,2-ditert-butylpyrrolidine

C16H33N — CID 59701501

IUPAC3-butan-2-yl-1,2-ditert-butylpyrrolidine
SMILESCCC(C)C1CCN(C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C16H33N/c1-9-12(2)13-10-11-17(16(6,7)8)14(13)15(3,4)5/h12-14H,9-11H2,1-8H3
InChIKeyGMSCYWJONCOYIK-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.57
Rot. Bonds2

About 3-butan-2-yl-1,2-ditert-butylpyrrolidine

3-butan-2-yl-1,2-ditert-butylpyrrolidine (PubChem CID 59701501) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 3-butan-2-yl-1,2-ditert-butylpyrrolidine.

Molecular Properties

Compound Name3-butan-2-yl-1,2-ditert-butylpyrrolidine
PubChem CID59701501
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name3-butan-2-yl-1,2-ditert-butylpyrrolidine
SMILESCCC(C)C1CCN(C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C16H33N/c1-9-12(2)13-10-11-17(16(6,7)8)14(13)15(3,4)5/h12-14H,9-11H2,1-8H3
InChIKeyGMSCYWJONCOYIK-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-[1-(2-fluoroethyl)-3-methylpyrrolidin-3-yl]-2-methyl-N-(3-methylbutyl)heptan-4-amine
CID 135243020
1-[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-(3-methylbutan-2-yl)pyrrolidin-3-yl]-N,N-dimethylmethanamine
CID 166766987
2-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-3-yl]-N,N-dimethylethanamine
CID 169598414
(2R,3S,5S)-1,5-ditert-butyl-3-(fluoromethyl)-2-methylpyrrolidine
CID 173972603
1-Butyl-4-tert-butyl-2-ethylpyrrolidine
CID 15503456
n-Butyl-diethyl-tributyl-dibutyl-tripropyl-amine
CID 129801322
1-(4-Tert-butylcyclohexyl)pyrrolidine
CID 12397910
1,3-Ditert-butylpyrrolidine
CID 18346668
N-ethyl-N,1,2,2,3,4,5,5-octamethyl-4-propan-2-ylpyrrolidin-3-amine
CID 18727338
2,2,3,3-Tetraethyl-1-methyl-1-azaspiro[4.5]decane
CID 18963734
1,2,2,3,3,4-Hexamethylpyrrolidine
CID 20542550
1,2,2-Tri(propan-2-yl)pyrrolidine
CID 20561670

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1,2-ditert-butylpyrrolidine?
The IUPAC name of 3-butan-2-yl-1,2-ditert-butylpyrrolidine (CID 59701501) is 3-butan-2-yl-1,2-ditert-butylpyrrolidine.
What is the SMILES notation for 3-butan-2-yl-1,2-ditert-butylpyrrolidine?
The canonical SMILES for 3-butan-2-yl-1,2-ditert-butylpyrrolidine is CCC(C)C1CCN(C(C)(C)C)C1C(C)(C)C.
What is the InChIKey of 3-butan-2-yl-1,2-ditert-butylpyrrolidine?
The InChIKey is GMSCYWJONCOYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-9-12(2)13-10-11-17(16(6,7)8)14(13)15(3,4)5/h12-14H,9-11H2,1-8H3.
What are the key properties of 3-butan-2-yl-1,2-ditert-butylpyrrolidine?
3-butan-2-yl-1,2-ditert-butylpyrrolidine has a molecular weight of 239.45 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1,2-ditert-butylpyrrolidine is sourced from PubChem (CID 59701501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).