3-ethoxy-2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine

C13H23N3O2 — CID 103921823

IUPAC3-ethoxy-2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCc2nc(C)no2)C1(C)C
InChIInChI=1S/C13H23N3O2/c1-5-17-11-8-10(13(11,3)4)14-7-6-12-15-9(2)16-18-12/h10-11,14H,5-8H2,1-4H3
InChIKeyRYJFAXQAPKOQNP-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.71
Rot. Bonds6

About 3-ethoxy-2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine (PubChem CID 103921823) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine
PubChem CID103921823
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-ethoxy-2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCc2nc(C)no2)C1(C)C
InChIInChI=1S/C13H23N3O2/c1-5-17-11-8-10(13(11,3)4)14-7-6-12-15-9(2)16-18-12/h10-11,14H,5-8H2,1-4H3
InChIKeyRYJFAXQAPKOQNP-UHFFFAOYSA-N
XLogP1.71
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]spiro[3.5]nonan-1-amine
CID 75516201
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
3-ethoxy-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 79763220
3-ethoxy-2,2-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutan-1-amine
CID 103921783
3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine
CID 113352099
4,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cycloheptan-1-amine
CID 106414159
N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 102977010
3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexan-1-amine
CID 104854152
3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 64687156
N-[2-(2,4-dichlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64853256
1-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 97242116
1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 75432268

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine (CID 103921823) is 3-ethoxy-2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine is CCOC1CC(NCCc2nc(C)no2)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine?
The InChIKey is RYJFAXQAPKOQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-17-11-8-10(13(11,3)4)14-7-6-12-15-9(2)16-18-12/h10-11,14H,5-8H2,1-4H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 103921823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).