3-ethoxy-5-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline

C15H23N5O — CID 81102063

IUPAC3-ethoxy-5-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline
SMILESCCOc1cc(N)cc(-c2nnnn2C(C)C(C)CC)c1
InChIInChI=1S/C15H23N5O/c1-5-10(3)11(4)20-15(17-18-19-20)12-7-13(16)9-14(8-12)21-6-2/h7-11H,5-6,16H2,1-4H3
InChIKeyULMNLAPJMDBFKQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.93
Rot. Bonds6

About 3-ethoxy-5-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline

3-ethoxy-5-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline (PubChem CID 81102063) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-ethoxy-5-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-ethoxy-5-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline
PubChem CID81102063
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name3-ethoxy-5-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline
SMILESCCOc1cc(N)cc(-c2nnnn2C(C)C(C)CC)c1
InChIInChI=1S/C15H23N5O/c1-5-10(3)11(4)20-15(17-18-19-20)12-7-13(16)9-14(8-12)21-6-2/h7-11H,5-6,16H2,1-4H3
InChIKeyULMNLAPJMDBFKQ-UHFFFAOYSA-N
XLogP2.93
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline?
The IUPAC name of 3-ethoxy-5-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline (CID 81102063) is 3-ethoxy-5-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3-ethoxy-5-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline?
The canonical SMILES for 3-ethoxy-5-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline is CCOc1cc(N)cc(-c2nnnn2C(C)C(C)CC)c1.
What is the InChIKey of 3-ethoxy-5-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline?
The InChIKey is ULMNLAPJMDBFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-5-10(3)11(4)20-15(17-18-19-20)12-7-13(16)9-14(8-12)21-6-2/h7-11H,5-6,16H2,1-4H3.
What are the key properties of 3-ethoxy-5-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline?
3-ethoxy-5-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline has a molecular weight of 289.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline is sourced from PubChem (CID 81102063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).