(2S)-2-tert-butyl-1-cyclobutylpyrrolidine

C12H23N — CID 167335912

IUPAC(2S)-2-tert-butyl-1-cyclobutylpyrrolidine
SMILESCC(C)(C)[C@@H]1CCCN1C1CCC1
InChIInChI=1S/C12H23N/c1-12(2,3)11-8-5-9-13(11)10-6-4-7-10/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyMHGNVJXXMDZDDO-NSHDSACASA-N
MW181.32 g/mol
LogP3.05
Rot. Bonds1

About (2S)-2-tert-butyl-1-cyclobutylpyrrolidine

(2S)-2-tert-butyl-1-cyclobutylpyrrolidine (PubChem CID 167335912) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (2S)-2-tert-butyl-1-cyclobutylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-tert-butyl-1-cyclobutylpyrrolidine
PubChem CID167335912
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(2S)-2-tert-butyl-1-cyclobutylpyrrolidine
SMILESCC(C)(C)[C@@H]1CCCN1C1CCC1
InChIInChI=1S/C12H23N/c1-12(2,3)11-8-5-9-13(11)10-6-4-7-10/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyMHGNVJXXMDZDDO-NSHDSACASA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,8R)-3-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 71444298
2-tert-butyl-1-cyclopentylpiperidine
CID 58564040
1-cyclobutyl-2-(trifluoromethyl)pyrrolidine;methanol
CID 176717802
2-tert-butyl-1-cyclopentylpiperazine
CID 82936671
2-tert-butyl-1-(2,2-dimethylcyclopentyl)pyrrolidine
CID 67953209
ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 167500332
2-tert-butyl-1-ethenylpyrrolidine
CID 126620960
[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol
CID 11344137
2-tert-butylpyrrolidine-1-carbaldehyde
CID 88935056
(5R,9aR)-5-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 15656831
2-tert-butyl-4-cyclobutyl-1-methylpiperazine
CID 134195464
(2-tert-butylpyrrolidin-1-yl)oxy-methylsilane
CID 154446658

Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-1-cyclobutylpyrrolidine?
The IUPAC name of (2S)-2-tert-butyl-1-cyclobutylpyrrolidine (CID 167335912) is (2S)-2-tert-butyl-1-cyclobutylpyrrolidine.
What is the SMILES notation for (2S)-2-tert-butyl-1-cyclobutylpyrrolidine?
The canonical SMILES for (2S)-2-tert-butyl-1-cyclobutylpyrrolidine is CC(C)(C)[C@@H]1CCCN1C1CCC1.
What is the InChIKey of (2S)-2-tert-butyl-1-cyclobutylpyrrolidine?
The InChIKey is MHGNVJXXMDZDDO-NSHDSACASA-N. The full InChI is InChI=1S/C12H23N/c1-12(2,3)11-8-5-9-13(11)10-6-4-7-10/h10-11H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-tert-butyl-1-cyclobutylpyrrolidine?
(2S)-2-tert-butyl-1-cyclobutylpyrrolidine has a molecular weight of 181.32 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-1-cyclobutylpyrrolidine is sourced from PubChem (CID 167335912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).