2-(1-hexan-2-yltetrazol-5-yl)-3-methylaniline

C14H21N5 — CID 55049972

IUPAC2-(1-hexan-2-yltetrazol-5-yl)-3-methylaniline
SMILESCCCCC(C)n1nnnc1-c1c(C)cccc1N
InChIInChI=1S/C14H21N5/c1-4-5-8-11(3)19-14(16-17-18-19)13-10(2)7-6-9-12(13)15/h6-7,9,11H,4-5,8,15H2,1-3H3
InChIKeyGQAQZVSVNIHSOO-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.98
Rot. Bonds5

About 2-(1-hexan-2-yltetrazol-5-yl)-3-methylaniline

2-(1-hexan-2-yltetrazol-5-yl)-3-methylaniline (PubChem CID 55049972) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-(1-hexan-2-yltetrazol-5-yl)-3-methylaniline.

Molecular Properties

Compound Name2-(1-hexan-2-yltetrazol-5-yl)-3-methylaniline
PubChem CID55049972
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-(1-hexan-2-yltetrazol-5-yl)-3-methylaniline
SMILESCCCCC(C)n1nnnc1-c1c(C)cccc1N
InChIInChI=1S/C14H21N5/c1-4-5-8-11(3)19-14(16-17-18-19)13-10(2)7-6-9-12(13)15/h6-7,9,11H,4-5,8,15H2,1-3H3
InChIKeyGQAQZVSVNIHSOO-UHFFFAOYSA-N
XLogP2.98
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.98
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-(1-hexan-2-yltetrazol-5-yl)-3-methylaniline?
The IUPAC name of 2-(1-hexan-2-yltetrazol-5-yl)-3-methylaniline (CID 55049972) is 2-(1-hexan-2-yltetrazol-5-yl)-3-methylaniline.
What is the SMILES notation for 2-(1-hexan-2-yltetrazol-5-yl)-3-methylaniline?
The canonical SMILES for 2-(1-hexan-2-yltetrazol-5-yl)-3-methylaniline is CCCCC(C)n1nnnc1-c1c(C)cccc1N.
What is the InChIKey of 2-(1-hexan-2-yltetrazol-5-yl)-3-methylaniline?
The InChIKey is GQAQZVSVNIHSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-5-8-11(3)19-14(16-17-18-19)13-10(2)7-6-9-12(13)15/h6-7,9,11H,4-5,8,15H2,1-3H3.
What are the key properties of 2-(1-hexan-2-yltetrazol-5-yl)-3-methylaniline?
2-(1-hexan-2-yltetrazol-5-yl)-3-methylaniline has a molecular weight of 259.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hexan-2-yltetrazol-5-yl)-3-methylaniline is sourced from PubChem (CID 55049972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).