3-[1-(3-ethylpentan-2-yl)tetrazol-5-yl]-2-methylaniline

C15H23N5 — CID 63837713

IUPAC3-[1-(3-ethylpentan-2-yl)tetrazol-5-yl]-2-methylaniline
SMILESCCC(CC)C(C)n1nnnc1-c1cccc(N)c1C
InChIInChI=1S/C15H23N5/c1-5-12(6-2)11(4)20-15(17-18-19-20)13-8-7-9-14(16)10(13)3/h7-9,11-12H,5-6,16H2,1-4H3
InChIKeyXAPCHBNWKANVPL-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.23
Rot. Bonds5

About 3-[1-(3-ethylpentan-2-yl)tetrazol-5-yl]-2-methylaniline

3-[1-(3-ethylpentan-2-yl)tetrazol-5-yl]-2-methylaniline (PubChem CID 63837713) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[1-(3-ethylpentan-2-yl)tetrazol-5-yl]-2-methylaniline.

Molecular Properties

Compound Name3-[1-(3-ethylpentan-2-yl)tetrazol-5-yl]-2-methylaniline
PubChem CID63837713
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name3-[1-(3-ethylpentan-2-yl)tetrazol-5-yl]-2-methylaniline
SMILESCCC(CC)C(C)n1nnnc1-c1cccc(N)c1C
InChIInChI=1S/C15H23N5/c1-5-12(6-2)11(4)20-15(17-18-19-20)13-8-7-9-14(16)10(13)3/h7-9,11-12H,5-6,16H2,1-4H3
InChIKeyXAPCHBNWKANVPL-UHFFFAOYSA-N
XLogP3.23
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1-(3-ethylpentan-2-yl)tetrazol-5-yl]-2-methylaniline?
The IUPAC name of 3-[1-(3-ethylpentan-2-yl)tetrazol-5-yl]-2-methylaniline (CID 63837713) is 3-[1-(3-ethylpentan-2-yl)tetrazol-5-yl]-2-methylaniline.
What is the SMILES notation for 3-[1-(3-ethylpentan-2-yl)tetrazol-5-yl]-2-methylaniline?
The canonical SMILES for 3-[1-(3-ethylpentan-2-yl)tetrazol-5-yl]-2-methylaniline is CCC(CC)C(C)n1nnnc1-c1cccc(N)c1C.
What is the InChIKey of 3-[1-(3-ethylpentan-2-yl)tetrazol-5-yl]-2-methylaniline?
The InChIKey is XAPCHBNWKANVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-5-12(6-2)11(4)20-15(17-18-19-20)13-8-7-9-14(16)10(13)3/h7-9,11-12H,5-6,16H2,1-4H3.
What are the key properties of 3-[1-(3-ethylpentan-2-yl)tetrazol-5-yl]-2-methylaniline?
3-[1-(3-ethylpentan-2-yl)tetrazol-5-yl]-2-methylaniline has a molecular weight of 273.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-ethylpentan-2-yl)tetrazol-5-yl]-2-methylaniline is sourced from PubChem (CID 63837713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).