3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine

C13H27N — CID 155259857

IUPAC3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine
SMILESCCC(C)(C)N1CCC(C(C)(C)C)C1
InChIInChI=1S/C13H27N/c1-7-13(5,6)14-9-8-11(10-14)12(2,3)4/h11H,7-10H2,1-6H3
InChIKeyBPYRKZFQWMPKND-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds2

About 3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine

3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine (PubChem CID 155259857) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine
PubChem CID155259857
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine
SMILESCCC(C)(C)N1CCC(C(C)(C)C)C1
InChIInChI=1S/C13H27N/c1-7-13(5,6)14-9-8-11(10-14)12(2,3)4/h11H,7-10H2,1-6H3
InChIKeyBPYRKZFQWMPKND-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylbutan-2-yl)pyrrolidin-3-amine
CID 43315387
3-tert-butyl-1-[5-(1-tert-butylazetidin-3-yl)-2,5-dimethylhexan-2-yl]pyrrolidine
CID 126725527
1,3-bis(2-methylbutan-2-yl)azetidine
CID 176964462
4-(2,4-dimethylpentan-2-yl)-1-(2-methylbutan-2-yl)piperidine
CID 153330318
1,4,7,10-tetrakis(2-methylbutan-2-yl)-1,4,7,10-tetrazacyclododecane
CID 139847650
6-methyl-1-(2-methylbutan-2-yl)azepan-4-amine
CID 155187142
1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;methane
CID 159756767
3-(2,2-dimethylpropyl)-1-(2-methylbutan-2-yl)piperidine
CID 143176562
(3R)-3-tert-butyl-1-methylpyrrolidine
CID 58837566
2-(2-methylbutan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926914
2-methyl-N-[[1-(2-methylbutan-2-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512074
4-tert-butyl-1-(2,3,3-trimethylbutan-2-yl)piperidine
CID 58465365

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine?
The IUPAC name of 3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine (CID 155259857) is 3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine.
What is the SMILES notation for 3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine?
The canonical SMILES for 3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine is CCC(C)(C)N1CCC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine?
The InChIKey is BPYRKZFQWMPKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-7-13(5,6)14-9-8-11(10-14)12(2,3)4/h11H,7-10H2,1-6H3.
What are the key properties of 3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine?
3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine has a molecular weight of 197.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine is sourced from PubChem (CID 155259857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).