tert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate

C13H27N3O2 — CID 63302739

IUPACtert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate
SMILESCCN(C)CCNC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H27N3O2/c1-6-15(5)8-7-14-11-9-16(10-11)12(17)18-13(2,3)4/h11,14H,6-10H2,1-5H3
InChIKeyZUKOQISFZDXSQL-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.15
Rot. Bonds5

About tert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate

tert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate (PubChem CID 63302739) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is tert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate
PubChem CID63302739
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Nametert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate
SMILESCCN(C)CCNC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H27N3O2/c1-6-15(5)8-7-14-11-9-16(10-11)12(17)18-13(2,3)4/h11,14H,6-10H2,1-5H3
InChIKeyZUKOQISFZDXSQL-UHFFFAOYSA-N
XLogP1.15
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate
CID 63302669
tert-butyl 3-[2-[ethyl(propyl)amino]ethylamino]azetidine-1-carboxylate
CID 102672504
tert-butyl N-[4-[2-[ethyl(methyl)amino]ethylamino]cyclohexyl]carbamate
CID 79114724
tert-butyl 3-(3-aminopropylamino)azetidine-1-carboxylate
CID 63303270
tert-butyl 3-(2-acetamidoethylamino)azetidine-1-carboxylate
CID 63302878
tert-butyl (3S)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311882
tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311884
tert-butyl 3-(2-cyclopentylethylamino)azetidine-1-carboxylate
CID 63302686
tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate
CID 83990962
tert-butyl 3-(2-pyrrolidin-1-ylethylamino)azetidine-1-carboxylate
CID 63303169
tert-butyl 3-(7-methyloctylamino)azetidine-1-carboxylate
CID 63421387
tert-butyl (3R,4R)-3,4-bis[ethyl(methyl)carbamoyl]pyrrolidine-1-carboxylate
CID 75447651

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate (CID 63302739) is tert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate is CCN(C)CCNC1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate?
The InChIKey is ZUKOQISFZDXSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-6-15(5)8-7-14-11-9-16(10-11)12(17)18-13(2,3)4/h11,14H,6-10H2,1-5H3.
What are the key properties of tert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate?
tert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate has a molecular weight of 257.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate is sourced from PubChem (CID 63302739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).