tert-butyl 3-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate

C13H26N2O2 — CID 84801667

IUPACtert-butyl 3-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCN)C1(C)C
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-9-7-10(6-8-14)13(15,4)5/h10H,6-9,14H2,1-5H3
InChIKeyKCPVLJGKPFRQDS-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.37
Rot. Bonds2

About tert-butyl 3-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate

tert-butyl 3-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate (PubChem CID 84801667) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl 3-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate
PubChem CID84801667
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl 3-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCN)C1(C)C
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-9-7-10(6-8-14)13(15,4)5/h10H,6-9,14H2,1-5H3
InChIKeyKCPVLJGKPFRQDS-UHFFFAOYSA-N
XLogP2.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (4S)-4-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 139416435
tert-butyl 3-(2-aminoethyl)-4-fluoro-4-methylpiperidine-1-carboxylate
CID 131997090
tert-butyl 2-(2-aminoethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 83487199
tert-butyl (4S)-4-(5-aminopentyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 139416268
bis(tert-butyl (4S)-4-(3-aminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate);oxalic acid
CID 175729197
methyl 3-(aminomethyl)-2,2-dimethylpiperidine-1-carboxylate
CID 83847995
tert-butyl (4R)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate
CID 97289962
tert-butyl 3-(2-aminoethyl)azepane-1-carboxylate
CID 83488042
tert-butyl 2-(2-aminoethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 155438113
tert-butyl 4-hydroxy-7a-methyl-3,4,4a,5,6,7-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylate
CID 76764579
tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate
CID 171991625
tert-butyl (1S)-1-methyl-7-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate
CID 156758119

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate (CID 84801667) is tert-butyl 3-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCN)C1(C)C.
What is the InChIKey of tert-butyl 3-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate?
The InChIKey is KCPVLJGKPFRQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-9-7-10(6-8-14)13(15,4)5/h10H,6-9,14H2,1-5H3.
What are the key properties of tert-butyl 3-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate?
tert-butyl 3-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate is sourced from PubChem (CID 84801667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).