[carboxy-[1-[4-(2-methylpentoxy)phenyl]ethyl]hydrazinylidene]-iminoazanium

C15H23N4O3+ — CID 70937004

IUPAC[carboxy-[1-[4-(2-methylpentoxy)phenyl]ethyl]hydrazinylidene]-iminoazanium
SMILESCCCC(C)COc1ccc(C(C)N(N=[N+]=N)C(=O)O)cc1
InChIInChI=1S/C15H22N4O3/c1-4-5-11(2)10-22-14-8-6-13(7-9-14)12(3)19(15(20)21)18-17-16/h6-9,11-12,16H,4-5,10H2,1-3H3/p+1
InChIKeyYCKHNSQUQNWPMA-UHFFFAOYSA-O
MW307.37 g/mol
LogP4.01
Rot. Bonds8

About [carboxy-[1-[4-(2-methylpentoxy)phenyl]ethyl]hydrazinylidene]-iminoazanium

[carboxy-[1-[4-(2-methylpentoxy)phenyl]ethyl]hydrazinylidene]-iminoazanium (PubChem CID 70937004) has the molecular formula C15H23N4O3+ and a molecular weight of 307.37 g/mol. Its IUPAC name is [carboxy-[1-[4-(2-methylpentoxy)phenyl]ethyl]hydrazinylidene]-iminoazanium.

Molecular Properties

Compound Name[carboxy-[1-[4-(2-methylpentoxy)phenyl]ethyl]hydrazinylidene]-iminoazanium
PubChem CID70937004
Molecular FormulaC15H23N4O3+
Molecular Weight307.37 g/mol
Exact Mass307.18
IUPAC Name[carboxy-[1-[4-(2-methylpentoxy)phenyl]ethyl]hydrazinylidene]-iminoazanium
SMILESCCCC(C)COc1ccc(C(C)N(N=[N+]=N)C(=O)O)cc1
InChIInChI=1S/C15H22N4O3/c1-4-5-11(2)10-22-14-8-6-13(7-9-14)12(3)19(15(20)21)18-17-16/h6-9,11-12,16H,4-5,10H2,1-3H3/p+1
InChIKeyYCKHNSQUQNWPMA-UHFFFAOYSA-O
XLogP4.01
TPSA100.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze [carboxy-[1-[4-(2-methylpentoxy)phenyl]ethyl]hydrazinylidene]-iminoazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [carboxy-[1-[4-(2-methylpentoxy)phenyl]ethyl]hydrazinylidene]-iminoazanium?
The IUPAC name of [carboxy-[1-[4-(2-methylpentoxy)phenyl]ethyl]hydrazinylidene]-iminoazanium (CID 70937004) is [carboxy-[1-[4-(2-methylpentoxy)phenyl]ethyl]hydrazinylidene]-iminoazanium.
What is the SMILES notation for [carboxy-[1-[4-(2-methylpentoxy)phenyl]ethyl]hydrazinylidene]-iminoazanium?
The canonical SMILES for [carboxy-[1-[4-(2-methylpentoxy)phenyl]ethyl]hydrazinylidene]-iminoazanium is CCCC(C)COc1ccc(C(C)N(N=[N+]=N)C(=O)O)cc1.
What is the InChIKey of [carboxy-[1-[4-(2-methylpentoxy)phenyl]ethyl]hydrazinylidene]-iminoazanium?
The InChIKey is YCKHNSQUQNWPMA-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22N4O3/c1-4-5-11(2)10-22-14-8-6-13(7-9-14)12(3)19(15(20)21)18-17-16/h6-9,11-12,16H,4-5,10H2,1-3H3/p+1.
What are the key properties of [carboxy-[1-[4-(2-methylpentoxy)phenyl]ethyl]hydrazinylidene]-iminoazanium?
[carboxy-[1-[4-(2-methylpentoxy)phenyl]ethyl]hydrazinylidene]-iminoazanium has a molecular weight of 307.37 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [carboxy-[1-[4-(2-methylpentoxy)phenyl]ethyl]hydrazinylidene]-iminoazanium is sourced from PubChem (CID 70937004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).