5-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2,4-dimethylaniline

C15H21N5 — CID 102706416

IUPAC5-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2,4-dimethylaniline
SMILESCc1cc(C)c(-c2nnnn2C(C)C2CCC2)cc1N
InChIInChI=1S/C15H21N5/c1-9-7-10(2)14(16)8-13(9)15-17-18-19-20(15)11(3)12-5-4-6-12/h7-8,11-12H,4-6,16H2,1-3H3
InChIKeyGPMIZBWPIGFPDF-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.90
Rot. Bonds3

About 5-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2,4-dimethylaniline

5-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2,4-dimethylaniline (PubChem CID 102706416) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 5-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2,4-dimethylaniline.

Molecular Properties

Compound Name5-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2,4-dimethylaniline
PubChem CID102706416
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name5-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2,4-dimethylaniline
SMILESCc1cc(C)c(-c2nnnn2C(C)C2CCC2)cc1N
InChIInChI=1S/C15H21N5/c1-9-7-10(2)14(16)8-13(9)15-17-18-19-20(15)11(3)12-5-4-6-12/h7-8,11-12H,4-6,16H2,1-3H3
InChIKeyGPMIZBWPIGFPDF-UHFFFAOYSA-N
XLogP2.90
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.90
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 5-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2,4-dimethylaniline?
The IUPAC name of 5-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2,4-dimethylaniline (CID 102706416) is 5-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2,4-dimethylaniline.
What is the SMILES notation for 5-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2,4-dimethylaniline?
The canonical SMILES for 5-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2,4-dimethylaniline is Cc1cc(C)c(-c2nnnn2C(C)C2CCC2)cc1N.
What is the InChIKey of 5-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2,4-dimethylaniline?
The InChIKey is GPMIZBWPIGFPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-9-7-10(2)14(16)8-13(9)15-17-18-19-20(15)11(3)12-5-4-6-12/h7-8,11-12H,4-6,16H2,1-3H3.
What are the key properties of 5-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2,4-dimethylaniline?
5-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2,4-dimethylaniline has a molecular weight of 271.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2,4-dimethylaniline is sourced from PubChem (CID 102706416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).