3-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]spiro[3.5]nonan-1-amine

C16H27N3O2 — CID 75516201

IUPAC3-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCc2nc(C)no2)C12CCCCC2
InChIInChI=1S/C16H27N3O2/c1-3-20-14-11-13(16(14)8-5-4-6-9-16)17-10-7-15-18-12(2)19-21-15/h13-14,17H,3-11H2,1-2H3
InChIKeyNIMZXWDQUZSUNU-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.64
Rot. Bonds6

About 3-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]spiro[3.5]nonan-1-amine

3-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]spiro[3.5]nonan-1-amine (PubChem CID 75516201) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]spiro[3.5]nonan-1-amine
PubChem CID75516201
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCc2nc(C)no2)C12CCCCC2
InChIInChI=1S/C16H27N3O2/c1-3-20-14-11-13(16(14)8-5-4-6-9-16)17-10-7-15-18-12(2)19-21-15/h13-14,17H,3-11H2,1-2H3
InChIKeyNIMZXWDQUZSUNU-UHFFFAOYSA-N
XLogP2.64
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine
CID 103921823
3-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]spiro[3.4]octan-1-amine
CID 106395151
3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine
CID 65167976
3-ethoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]spiro[3.3]heptan-1-amine
CID 106396417
N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine
CID 65167891
3-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]spiro[3.5]nonan-1-amine
CID 80685329
3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
3-ethoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]spiro[3.3]heptan-1-amine
CID 104695163
3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine
CID 64864056
(1R,3R)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine
CID 124680812
3-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]spiro[3.3]heptan-1-amine
CID 65294827
N-(3-ethoxyspiro[3.4]octan-1-yl)-N',N'-diethylethane-1,2-diamine
CID 64862891

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]spiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]spiro[3.5]nonan-1-amine (CID 75516201) is 3-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]spiro[3.5]nonan-1-amine is CCOC1CC(NCCc2nc(C)no2)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]spiro[3.5]nonan-1-amine?
The InChIKey is NIMZXWDQUZSUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-20-14-11-13(16(14)8-5-4-6-9-16)17-10-7-15-18-12(2)19-21-15/h13-14,17H,3-11H2,1-2H3.
What are the key properties of 3-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]spiro[3.5]nonan-1-amine?
3-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]spiro[3.5]nonan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]spiro[3.5]nonan-1-amine is sourced from PubChem (CID 75516201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).