3-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)spiro[3.5]nonan-1-amine

C14H24N4O — CID 65168168

IUPAC3-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCc2ncn[nH]2)C12CCCCC2
InChIInChI=1S/C14H24N4O/c1-2-19-12-8-11(14(12)6-4-3-5-7-14)15-9-13-16-10-17-18-13/h10-12,15H,2-9H2,1H3,(H,16,17,18)
InChIKeySFCOWFSVZMUAAB-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.02
Rot. Bonds5

About 3-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)spiro[3.5]nonan-1-amine

3-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)spiro[3.5]nonan-1-amine (PubChem CID 65168168) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)spiro[3.5]nonan-1-amine
PubChem CID65168168
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCc2ncn[nH]2)C12CCCCC2
InChIInChI=1S/C14H24N4O/c1-2-19-12-8-11(14(12)6-4-3-5-7-14)15-9-13-16-10-17-18-13/h10-12,15H,2-9H2,1H3,(H,16,17,18)
InChIKeySFCOWFSVZMUAAB-UHFFFAOYSA-N
XLogP2.02
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)spiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)spiro[3.5]nonan-1-amine (CID 65168168) is 3-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)spiro[3.5]nonan-1-amine is CCOC1CC(NCc2ncn[nH]2)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)spiro[3.5]nonan-1-amine?
The InChIKey is SFCOWFSVZMUAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-19-12-8-11(14(12)6-4-3-5-7-14)15-9-13-16-10-17-18-13/h10-12,15H,2-9H2,1H3,(H,16,17,18).
What are the key properties of 3-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)spiro[3.5]nonan-1-amine?
3-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)spiro[3.5]nonan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 65168168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).