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

C14H21N5 — CID 61470520

IUPAC4-methyl-3-[1-(2-methylpentan-3-yl)tetrazol-5-yl]aniline
SMILESCCC(C(C)C)n1nnnc1-c1cc(N)ccc1C
InChIInChI=1S/C14H21N5/c1-5-13(9(2)3)19-14(16-17-18-19)12-8-11(15)7-6-10(12)4/h6-9,13H,5,15H2,1-4H3
InChIKeyJAIHTAHDHOPIQJ-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.84
Rot. Bonds4

About 4-methyl-3-[1-(2-methylpentan-3-yl)tetrazol-5-yl]aniline

4-methyl-3-[1-(2-methylpentan-3-yl)tetrazol-5-yl]aniline (PubChem CID 61470520) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 4-methyl-3-[1-(2-methylpentan-3-yl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-methyl-3-[1-(2-methylpentan-3-yl)tetrazol-5-yl]aniline
PubChem CID61470520
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name4-methyl-3-[1-(2-methylpentan-3-yl)tetrazol-5-yl]aniline
SMILESCCC(C(C)C)n1nnnc1-c1cc(N)ccc1C
InChIInChI=1S/C14H21N5/c1-5-13(9(2)3)19-14(16-17-18-19)12-8-11(15)7-6-10(12)4/h6-9,13H,5,15H2,1-4H3
InChIKeyJAIHTAHDHOPIQJ-UHFFFAOYSA-N
XLogP2.84
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.84
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 4-methyl-3-[1-(2-methylpentan-3-yl)tetrazol-5-yl]aniline?
The IUPAC name of 4-methyl-3-[1-(2-methylpentan-3-yl)tetrazol-5-yl]aniline (CID 61470520) is 4-methyl-3-[1-(2-methylpentan-3-yl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-methyl-3-[1-(2-methylpentan-3-yl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-methyl-3-[1-(2-methylpentan-3-yl)tetrazol-5-yl]aniline is CCC(C(C)C)n1nnnc1-c1cc(N)ccc1C.
What is the InChIKey of 4-methyl-3-[1-(2-methylpentan-3-yl)tetrazol-5-yl]aniline?
The InChIKey is JAIHTAHDHOPIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-5-13(9(2)3)19-14(16-17-18-19)12-8-11(15)7-6-10(12)4/h6-9,13H,5,15H2,1-4H3.
What are the key properties of 4-methyl-3-[1-(2-methylpentan-3-yl)tetrazol-5-yl]aniline?
4-methyl-3-[1-(2-methylpentan-3-yl)tetrazol-5-yl]aniline has a molecular weight of 259.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[1-(2-methylpentan-3-yl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61470520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).