N-[4-ethyl-2-(methyldiazenyl)phenyl]methanimine

C10H13N3 — CID 170397230

IUPACN-[4-ethyl-2-(methyldiazenyl)phenyl]methanimine
SMILESC=Nc1ccc(CC)cc1/N=N/C
InChIInChI=1S/C10H13N3/c1-4-8-5-6-9(11-2)10(7-8)13-12-3/h5-7H,2,4H2,1,3H3/b13-12+
InChIKeySNXRQNAYTROKFF-OUKQBFOZSA-N
MW175.23 g/mol
LogP3.29
Rot. Bonds3

About N-[4-ethyl-2-(methyldiazenyl)phenyl]methanimine

N-[4-ethyl-2-(methyldiazenyl)phenyl]methanimine (PubChem CID 170397230) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N-[4-ethyl-2-(methyldiazenyl)phenyl]methanimine.

Molecular Properties

Compound NameN-[4-ethyl-2-(methyldiazenyl)phenyl]methanimine
PubChem CID170397230
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC NameN-[4-ethyl-2-(methyldiazenyl)phenyl]methanimine
SMILESC=Nc1ccc(CC)cc1/N=N/C
InChIInChI=1S/C10H13N3/c1-4-8-5-6-9(11-2)10(7-8)13-12-3/h5-7H,2,4H2,1,3H3/b13-12+
InChIKeySNXRQNAYTROKFF-OUKQBFOZSA-N
XLogP3.29
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-ethyl-2-(methyldiazenyl)phenyl]methanimine?
The IUPAC name of N-[4-ethyl-2-(methyldiazenyl)phenyl]methanimine (CID 170397230) is N-[4-ethyl-2-(methyldiazenyl)phenyl]methanimine.
What is the SMILES notation for N-[4-ethyl-2-(methyldiazenyl)phenyl]methanimine?
The canonical SMILES for N-[4-ethyl-2-(methyldiazenyl)phenyl]methanimine is C=Nc1ccc(CC)cc1/N=N/C.
What is the InChIKey of N-[4-ethyl-2-(methyldiazenyl)phenyl]methanimine?
The InChIKey is SNXRQNAYTROKFF-OUKQBFOZSA-N. The full InChI is InChI=1S/C10H13N3/c1-4-8-5-6-9(11-2)10(7-8)13-12-3/h5-7H,2,4H2,1,3H3/b13-12+.
What are the key properties of N-[4-ethyl-2-(methyldiazenyl)phenyl]methanimine?
N-[4-ethyl-2-(methyldiazenyl)phenyl]methanimine has a molecular weight of 175.23 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethyl-2-(methyldiazenyl)phenyl]methanimine is sourced from PubChem (CID 170397230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).