tert-butyl 2-(diethylaminomethyl)azetidine-1-carboxylate

C13H26N2O2 — CID 67107599

IUPACtert-butyl 2-(diethylaminomethyl)azetidine-1-carboxylate
SMILESCCN(CC)CC1CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-6-14(7-2)10-11-8-9-15(11)12(16)17-13(3,4)5/h11H,6-10H2,1-5H3
InChIKeyYXIBVEYGPGEJKI-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.34
Rot. Bonds4

About tert-butyl 2-(diethylaminomethyl)azetidine-1-carboxylate

tert-butyl 2-(diethylaminomethyl)azetidine-1-carboxylate (PubChem CID 67107599) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl 2-(diethylaminomethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(diethylaminomethyl)azetidine-1-carboxylate
PubChem CID67107599
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl 2-(diethylaminomethyl)azetidine-1-carboxylate
SMILESCCN(CC)CC1CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-6-14(7-2)10-11-8-9-15(11)12(16)17-13(3,4)5/h11H,6-10H2,1-5H3
InChIKeyYXIBVEYGPGEJKI-UHFFFAOYSA-N
XLogP2.34
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
CID 11074142
tert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate
CID 58617998
tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate
CID 143769589
tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
CID 77421281
tert-butyl 2-(pent-2-en-3-yloxymethyl)azetidine-1-carboxylate
CID 90703735
tert-butyl 2-[[methyl(oxolan-3-yl)amino]methyl]azetidine-1-carboxylate
CID 68792309
tert-butyl (2S)-2-(azidomethyl)azetidine-1-carboxylate
CID 123457284
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl 2-[[2-(diethylamino)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 106636392
tert-butyl (2R,3S)-2-ethyl-3-methylpyrrolidine-1-carboxylate
CID 170139098
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(diethylaminomethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(diethylaminomethyl)azetidine-1-carboxylate (CID 67107599) is tert-butyl 2-(diethylaminomethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(diethylaminomethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(diethylaminomethyl)azetidine-1-carboxylate is CCN(CC)CC1CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(diethylaminomethyl)azetidine-1-carboxylate?
The InChIKey is YXIBVEYGPGEJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-6-14(7-2)10-11-8-9-15(11)12(16)17-13(3,4)5/h11H,6-10H2,1-5H3.
What are the key properties of tert-butyl 2-(diethylaminomethyl)azetidine-1-carboxylate?
tert-butyl 2-(diethylaminomethyl)azetidine-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(diethylaminomethyl)azetidine-1-carboxylate is sourced from PubChem (CID 67107599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).