N-(2-methylprop-2-enyldiazenyl)aniline

C10H13N3 — CID 141039159

IUPACN-(2-methylprop-2-enyldiazenyl)aniline
SMILESC=C(C)C/N=N/Nc1ccccc1
InChIInChI=1S/C10H13N3/c1-9(2)8-11-13-12-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3,(H,11,12)
InChIKeyINOQVNDQGXXJHC-UHFFFAOYSA-N
MW175.23 g/mol
LogP3.04
Rot. Bonds4

About N-(2-methylprop-2-enyldiazenyl)aniline

N-(2-methylprop-2-enyldiazenyl)aniline (PubChem CID 141039159) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N-(2-methylprop-2-enyldiazenyl)aniline.

Molecular Properties

Compound NameN-(2-methylprop-2-enyldiazenyl)aniline
PubChem CID141039159
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC NameN-(2-methylprop-2-enyldiazenyl)aniline
SMILESC=C(C)C/N=N/Nc1ccccc1
InChIInChI=1S/C10H13N3/c1-9(2)8-11-13-12-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3,(H,11,12)
InChIKeyINOQVNDQGXXJHC-UHFFFAOYSA-N
XLogP3.04
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(2-methylprop-2-enyldiazenyl)aniline?
The IUPAC name of N-(2-methylprop-2-enyldiazenyl)aniline (CID 141039159) is N-(2-methylprop-2-enyldiazenyl)aniline.
What is the SMILES notation for N-(2-methylprop-2-enyldiazenyl)aniline?
The canonical SMILES for N-(2-methylprop-2-enyldiazenyl)aniline is C=C(C)C/N=N/Nc1ccccc1.
What is the InChIKey of N-(2-methylprop-2-enyldiazenyl)aniline?
The InChIKey is INOQVNDQGXXJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-9(2)8-11-13-12-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3,(H,11,12).
What are the key properties of N-(2-methylprop-2-enyldiazenyl)aniline?
N-(2-methylprop-2-enyldiazenyl)aniline has a molecular weight of 175.23 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyldiazenyl)aniline is sourced from PubChem (CID 141039159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).