N-(butyldiazenyl)-4-methylaniline

C11H17N3 — CID 3481453

IUPACN-(butyldiazenyl)-4-methylaniline
SMILESCCCC/N=N/Nc1ccc(C)cc1
InChIInChI=1S/C11H17N3/c1-3-4-9-12-14-13-11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,12,13)
InChIKeyDBHFMKOBJOOXCA-UHFFFAOYSA-N
MW191.28 g/mol
LogP3.57
Rot. Bonds5

About N-(butyldiazenyl)-4-methylaniline

N-(butyldiazenyl)-4-methylaniline (PubChem CID 3481453) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-(butyldiazenyl)-4-methylaniline.

Molecular Properties

Compound NameN-(butyldiazenyl)-4-methylaniline
PubChem CID3481453
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-(butyldiazenyl)-4-methylaniline
SMILESCCCC/N=N/Nc1ccc(C)cc1
InChIInChI=1S/C11H17N3/c1-3-4-9-12-14-13-11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,12,13)
InChIKeyDBHFMKOBJOOXCA-UHFFFAOYSA-N
XLogP3.57
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(butyldiazenyl)-4-methylaniline?
The IUPAC name of N-(butyldiazenyl)-4-methylaniline (CID 3481453) is N-(butyldiazenyl)-4-methylaniline.
What is the SMILES notation for N-(butyldiazenyl)-4-methylaniline?
The canonical SMILES for N-(butyldiazenyl)-4-methylaniline is CCCC/N=N/Nc1ccc(C)cc1.
What is the InChIKey of N-(butyldiazenyl)-4-methylaniline?
The InChIKey is DBHFMKOBJOOXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-3-4-9-12-14-13-11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,12,13).
What are the key properties of N-(butyldiazenyl)-4-methylaniline?
N-(butyldiazenyl)-4-methylaniline has a molecular weight of 191.28 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butyldiazenyl)-4-methylaniline is sourced from PubChem (CID 3481453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).