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

C14H21N5 — CID 61351832

IUPAC2-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline
SMILESCc1ccc(-c2nnnn2C(C)CC(C)C)cc1N
InChIInChI=1S/C14H21N5/c1-9(2)7-11(4)19-14(16-17-18-19)12-6-5-10(3)13(15)8-12/h5-6,8-9,11H,7,15H2,1-4H3
InChIKeyCMVHXDXWSFHREX-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.84
Rot. Bonds4

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

2-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline (PubChem CID 61351832) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline
PubChem CID61351832
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline
SMILESCc1ccc(-c2nnnn2C(C)CC(C)C)cc1N
InChIInChI=1S/C14H21N5/c1-9(2)7-11(4)19-14(16-17-18-19)12-6-5-10(3)13(15)8-12/h5-6,8-9,11H,7,15H2,1-4H3
InChIKeyCMVHXDXWSFHREX-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 2-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline?
The IUPAC name of 2-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline (CID 61351832) is 2-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline is Cc1ccc(-c2nnnn2C(C)CC(C)C)cc1N.
What is the InChIKey of 2-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline?
The InChIKey is CMVHXDXWSFHREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-9(2)7-11(4)19-14(16-17-18-19)12-6-5-10(3)13(15)8-12/h5-6,8-9,11H,7,15H2,1-4H3.
What are the key properties of 2-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline?
2-methyl-5-[1-(4-methylpentan-2-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 2-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61351832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).