2-(1-octan-4-yltetrazol-5-yl)aniline

C15H23N5 — CID 106026899

IUPAC2-(1-octan-4-yltetrazol-5-yl)aniline
SMILESCCCCC(CCC)n1nnnc1-c1ccccc1N
InChIInChI=1S/C15H23N5/c1-3-5-9-12(8-4-2)20-15(17-18-19-20)13-10-6-7-11-14(13)16/h6-7,10-12H,3-5,8-9,16H2,1-2H3
InChIKeyQVHRQDBHMKVWNQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.45
Rot. Bonds7

About 2-(1-octan-4-yltetrazol-5-yl)aniline

2-(1-octan-4-yltetrazol-5-yl)aniline (PubChem CID 106026899) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(1-octan-4-yltetrazol-5-yl)aniline.

Molecular Properties

Compound Name2-(1-octan-4-yltetrazol-5-yl)aniline
PubChem CID106026899
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name2-(1-octan-4-yltetrazol-5-yl)aniline
SMILESCCCCC(CCC)n1nnnc1-c1ccccc1N
InChIInChI=1S/C15H23N5/c1-3-5-9-12(8-4-2)20-15(17-18-19-20)13-10-6-7-11-14(13)16/h6-7,10-12H,3-5,8-9,16H2,1-2H3
InChIKeyQVHRQDBHMKVWNQ-UHFFFAOYSA-N
XLogP3.45
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline
CID 115936270
2-methyl-3-(1-octan-2-yltetrazol-5-yl)aniline
CID 61478494
2-[1-(2-methylbutyl)tetrazol-5-yl]aniline
CID 62692080
2-(1-hexan-2-yltetrazol-5-yl)-3-methylaniline
CID 55049972
4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline
CID 62119532
3-(1-hexan-3-yltetrazol-5-yl)aniline
CID 62119163
2-chloro-3-[1-(1-methoxybutan-2-yl)tetrazol-5-yl]aniline
CID 112580505
4-chloro-2-(1-octan-2-yltetrazol-5-yl)aniline
CID 63463614
5-chloro-2-(1-octan-2-yltetrazol-5-yl)aniline
CID 63463613
2-bromo-5-(1-hexan-3-yltetrazol-5-yl)aniline
CID 62117490
2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline
CID 61353615
3-[1-(3-ethylpentan-2-yl)tetrazol-5-yl]-2-methylaniline
CID 63837713

Frequently Asked Questions

What is the IUPAC name of 2-(1-octan-4-yltetrazol-5-yl)aniline?
The IUPAC name of 2-(1-octan-4-yltetrazol-5-yl)aniline (CID 106026899) is 2-(1-octan-4-yltetrazol-5-yl)aniline.
What is the SMILES notation for 2-(1-octan-4-yltetrazol-5-yl)aniline?
The canonical SMILES for 2-(1-octan-4-yltetrazol-5-yl)aniline is CCCCC(CCC)n1nnnc1-c1ccccc1N.
What is the InChIKey of 2-(1-octan-4-yltetrazol-5-yl)aniline?
The InChIKey is QVHRQDBHMKVWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-3-5-9-12(8-4-2)20-15(17-18-19-20)13-10-6-7-11-14(13)16/h6-7,10-12H,3-5,8-9,16H2,1-2H3.
What are the key properties of 2-(1-octan-4-yltetrazol-5-yl)aniline?
2-(1-octan-4-yltetrazol-5-yl)aniline has a molecular weight of 273.38 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-octan-4-yltetrazol-5-yl)aniline is sourced from PubChem (CID 106026899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).