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

C15H23N5 — CID 63925147

IUPAC3-methyl-4-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline
SMILESCc1cc(N)ccc1-c1nnnn1C(C)CCC(C)C
InChIInChI=1S/C15H23N5/c1-10(2)5-6-12(4)20-15(17-18-19-20)14-8-7-13(16)9-11(14)3/h7-10,12H,5-6,16H2,1-4H3
InChIKeyGOSSOILXUHOZSB-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.23
Rot. Bonds5

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

3-methyl-4-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline (PubChem CID 63925147) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-methyl-4-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-methyl-4-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline
PubChem CID63925147
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name3-methyl-4-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline
SMILESCc1cc(N)ccc1-c1nnnn1C(C)CCC(C)C
InChIInChI=1S/C15H23N5/c1-10(2)5-6-12(4)20-15(17-18-19-20)14-8-7-13(16)9-11(14)3/h7-10,12H,5-6,16H2,1-4H3
InChIKeyGOSSOILXUHOZSB-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-methyl-4-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline?
The IUPAC name of 3-methyl-4-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline (CID 63925147) is 3-methyl-4-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3-methyl-4-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline?
The canonical SMILES for 3-methyl-4-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline is Cc1cc(N)ccc1-c1nnnn1C(C)CCC(C)C.
What is the InChIKey of 3-methyl-4-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline?
The InChIKey is GOSSOILXUHOZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-10(2)5-6-12(4)20-15(17-18-19-20)14-8-7-13(16)9-11(14)3/h7-10,12H,5-6,16H2,1-4H3.
What are the key properties of 3-methyl-4-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline?
3-methyl-4-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline 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-methyl-4-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline is sourced from PubChem (CID 63925147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).