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

C16H28N4O — CID 65169237

IUPAC3-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCc2nncn2C)C12CCCCC2
InChIInChI=1S/C16H28N4O/c1-3-21-14-11-13(16(14)8-5-4-6-9-16)17-10-7-15-19-18-12-20(15)2/h12-14,17H,3-11H2,1-2H3
InChIKeyFNKYKQVWSCFJSE-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.08
Rot. Bonds6

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

3-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.5]nonan-1-amine (PubChem CID 65169237) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.5]nonan-1-amine
PubChem CID65169237
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCc2nncn2C)C12CCCCC2
InChIInChI=1S/C16H28N4O/c1-3-21-14-11-13(16(14)8-5-4-6-9-16)17-10-7-15-19-18-12-20(15)2/h12-14,17H,3-11H2,1-2H3
InChIKeyFNKYKQVWSCFJSE-UHFFFAOYSA-N
XLogP2.08
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.5]nonan-1-amine (CID 65169237) is 3-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.5]nonan-1-amine is CCOC1CC(NCCc2nncn2C)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.5]nonan-1-amine?
The InChIKey is FNKYKQVWSCFJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-21-14-11-13(16(14)8-5-4-6-9-16)17-10-7-15-19-18-12-20(15)2/h12-14,17H,3-11H2,1-2H3.
What are the key properties of 3-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.5]nonan-1-amine?
3-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.5]nonan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 2.08, 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-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.5]nonan-1-amine is sourced from PubChem (CID 65169237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).