N-pentyl-2-(pyridin-2-yldiazenyl)aniline

C16H20N4 — CID 118693655

IUPACN-pentyl-2-(pyridin-2-yldiazenyl)aniline
SMILESCCCCCNc1ccccc1/N=N/c1ccccn1
InChIInChI=1S/C16H20N4/c1-2-3-7-12-17-14-9-4-5-10-15(14)19-20-16-11-6-8-13-18-16/h4-6,8-11,13,17H,2-3,7,12H2,1H3/b20-19+
InChIKeyFWAZXWJABSNDQB-FMQUCBEESA-N
MW268.36 g/mol
LogP5.10
Rot. Bonds7

About N-pentyl-2-(pyridin-2-yldiazenyl)aniline

N-pentyl-2-(pyridin-2-yldiazenyl)aniline (PubChem CID 118693655) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-pentyl-2-(pyridin-2-yldiazenyl)aniline.

Molecular Properties

Compound NameN-pentyl-2-(pyridin-2-yldiazenyl)aniline
PubChem CID118693655
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-pentyl-2-(pyridin-2-yldiazenyl)aniline
SMILESCCCCCNc1ccccc1/N=N/c1ccccn1
InChIInChI=1S/C16H20N4/c1-2-3-7-12-17-14-9-4-5-10-15(14)19-20-16-11-6-8-13-18-16/h4-6,8-11,13,17H,2-3,7,12H2,1H3/b20-19+
InChIKeyFWAZXWJABSNDQB-FMQUCBEESA-N
XLogP5.10
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.36
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-(pyridin-2-yldiazenyl)aniline?
The IUPAC name of N-pentyl-2-(pyridin-2-yldiazenyl)aniline (CID 118693655) is N-pentyl-2-(pyridin-2-yldiazenyl)aniline.
What is the SMILES notation for N-pentyl-2-(pyridin-2-yldiazenyl)aniline?
The canonical SMILES for N-pentyl-2-(pyridin-2-yldiazenyl)aniline is CCCCCNc1ccccc1/N=N/c1ccccn1.
What is the InChIKey of N-pentyl-2-(pyridin-2-yldiazenyl)aniline?
The InChIKey is FWAZXWJABSNDQB-FMQUCBEESA-N. The full InChI is InChI=1S/C16H20N4/c1-2-3-7-12-17-14-9-4-5-10-15(14)19-20-16-11-6-8-13-18-16/h4-6,8-11,13,17H,2-3,7,12H2,1H3/b20-19+.
What are the key properties of N-pentyl-2-(pyridin-2-yldiazenyl)aniline?
N-pentyl-2-(pyridin-2-yldiazenyl)aniline has a molecular weight of 268.36 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-(pyridin-2-yldiazenyl)aniline is sourced from PubChem (CID 118693655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).