tert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate

C14H29N3O2 — CID 63302669

IUPACtert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate
SMILESCCN(CC)CCNC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H29N3O2/c1-6-16(7-2)9-8-15-12-10-17(11-12)13(18)19-14(3,4)5/h12,15H,6-11H2,1-5H3
InChIKeyWVQUHLVJCDVZLM-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.54
Rot. Bonds6

About tert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate

tert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate (PubChem CID 63302669) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate
PubChem CID63302669
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Nametert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate
SMILESCCN(CC)CCNC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H29N3O2/c1-6-16(7-2)9-8-15-12-10-17(11-12)13(18)19-14(3,4)5/h12,15H,6-11H2,1-5H3
InChIKeyWVQUHLVJCDVZLM-UHFFFAOYSA-N
XLogP1.54
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[2-[ethyl(propyl)amino]ethylamino]azetidine-1-carboxylate
CID 102672504
tert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate
CID 63302739
tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]azetidine-1-carboxylate
CID 178059577
tert-butyl 3-(3-aminopropylamino)azetidine-1-carboxylate
CID 63303270
tert-butyl 3-(2-acetamidoethylamino)azetidine-1-carboxylate
CID 63302878
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 (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-ethoxy-2-oxoethyl)amino]azetidine-1-carboxylate
CID 63303097

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate (CID 63302669) is tert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate is CCN(CC)CCNC1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate?
The InChIKey is WVQUHLVJCDVZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-6-16(7-2)9-8-15-12-10-17(11-12)13(18)19-14(3,4)5/h12,15H,6-11H2,1-5H3.
What are the key properties of tert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate?
tert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate has a molecular weight of 271.40 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate is sourced from PubChem (CID 63302669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).