3-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.4]octan-1-amine

C15H26N4O — CID 64864251

IUPAC3-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.4]octan-1-amine
SMILESCCOC1CC(NC(C)c2nncn2C)C12CCCC2
InChIInChI=1S/C15H26N4O/c1-4-20-13-9-12(15(13)7-5-6-8-15)17-11(2)14-18-16-10-19(14)3/h10-13,17H,4-9H2,1-3H3
InChIKeyDYRBCSAKNPTERH-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.20
Rot. Bonds5

About 3-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.4]octan-1-amine

3-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.4]octan-1-amine (PubChem CID 64864251) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.4]octan-1-amine
PubChem CID64864251
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.4]octan-1-amine
SMILESCCOC1CC(NC(C)c2nncn2C)C12CCCC2
InChIInChI=1S/C15H26N4O/c1-4-20-13-9-12(15(13)7-5-6-8-15)17-11(2)14-18-16-10-19(14)3/h10-13,17H,4-9H2,1-3H3
InChIKeyDYRBCSAKNPTERH-UHFFFAOYSA-N
XLogP2.20
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.4]octan-1-amine (CID 64864251) is 3-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.4]octan-1-amine is CCOC1CC(NC(C)c2nncn2C)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.4]octan-1-amine?
The InChIKey is DYRBCSAKNPTERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-20-13-9-12(15(13)7-5-6-8-15)17-11(2)14-18-16-10-19(14)3/h10-13,17H,4-9H2,1-3H3.
What are the key properties of 3-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.4]octan-1-amine?
3-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.4]octan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.4]octan-1-amine is sourced from PubChem (CID 64864251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).