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

C14H24N4O — CID 64864647

IUPAC3-ethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCc2nncn2C)C12CCCC2
InChIInChI=1S/C14H24N4O/c1-3-19-12-8-11(14(12)6-4-5-7-14)15-9-13-17-16-10-18(13)2/h10-12,15H,3-9H2,1-2H3
InChIKeyJYGCEHSQTVTGDU-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.64
Rot. Bonds5

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

3-ethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]spiro[3.4]octan-1-amine (PubChem CID 64864647) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-ethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]spiro[3.4]octan-1-amine
PubChem CID64864647
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-ethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCc2nncn2C)C12CCCC2
InChIInChI=1S/C14H24N4O/c1-3-19-12-8-11(14(12)6-4-5-7-14)15-9-13-17-16-10-18(13)2/h10-12,15H,3-9H2,1-2H3
InChIKeyJYGCEHSQTVTGDU-UHFFFAOYSA-N
XLogP1.64
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]spiro[3.4]octan-1-amine (CID 64864647) is 3-ethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]spiro[3.4]octan-1-amine is CCOC1CC(NCc2nncn2C)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]spiro[3.4]octan-1-amine?
The InChIKey is JYGCEHSQTVTGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-19-12-8-11(14(12)6-4-5-7-14)15-9-13-17-16-10-18(13)2/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]spiro[3.4]octan-1-amine?
3-ethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]spiro[3.4]octan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]spiro[3.4]octan-1-amine is sourced from PubChem (CID 64864647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).