2-[(2S)-2-(aminodiazenyl)-2-cyclohexa-2,4-dien-1-ylethyl]cyclohexa-1,3-diene

C14H19N3 — CID 89489154

IUPAC2-[(2S)-2-(aminodiazenyl)-2-cyclohexa-2,4-dien-1-ylethyl]cyclohexa-1,3-diene
SMILESN/N=N/[C@@H](CC1=CCCC=C1)C1C=CC=CC1
InChIInChI=1S/C14H19N3/c15-17-16-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h2-3,5-9,13-14H,1,4,10-11H2,(H2,15,16)/t13?,14-/m0/s1
InChIKeyDPHPDAIFAXTKSL-KZUDCZAMSA-N
MW229.33 g/mol
LogP3.48
Rot. Bonds4

About 2-[(2S)-2-(aminodiazenyl)-2-cyclohexa-2,4-dien-1-ylethyl]cyclohexa-1,3-diene

2-[(2S)-2-(aminodiazenyl)-2-cyclohexa-2,4-dien-1-ylethyl]cyclohexa-1,3-diene (PubChem CID 89489154) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-[(2S)-2-(aminodiazenyl)-2-cyclohexa-2,4-dien-1-ylethyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[(2S)-2-(aminodiazenyl)-2-cyclohexa-2,4-dien-1-ylethyl]cyclohexa-1,3-diene
PubChem CID89489154
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-[(2S)-2-(aminodiazenyl)-2-cyclohexa-2,4-dien-1-ylethyl]cyclohexa-1,3-diene
SMILESN/N=N/[C@@H](CC1=CCCC=C1)C1C=CC=CC1
InChIInChI=1S/C14H19N3/c15-17-16-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h2-3,5-9,13-14H,1,4,10-11H2,(H2,15,16)/t13?,14-/m0/s1
InChIKeyDPHPDAIFAXTKSL-KZUDCZAMSA-N
XLogP3.48
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.48
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2S)-2-(aminodiazenyl)-2-cyclohexa-2,4-dien-1-ylethyl]cyclohexa-1,3-diene 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 2-[(2S)-2-(aminodiazenyl)-2-cyclohexa-2,4-dien-1-ylethyl]cyclohexa-1,3-diene?
The IUPAC name of 2-[(2S)-2-(aminodiazenyl)-2-cyclohexa-2,4-dien-1-ylethyl]cyclohexa-1,3-diene (CID 89489154) is 2-[(2S)-2-(aminodiazenyl)-2-cyclohexa-2,4-dien-1-ylethyl]cyclohexa-1,3-diene.
What is the SMILES notation for 2-[(2S)-2-(aminodiazenyl)-2-cyclohexa-2,4-dien-1-ylethyl]cyclohexa-1,3-diene?
The canonical SMILES for 2-[(2S)-2-(aminodiazenyl)-2-cyclohexa-2,4-dien-1-ylethyl]cyclohexa-1,3-diene is N/N=N/[C@@H](CC1=CCCC=C1)C1C=CC=CC1.
What is the InChIKey of 2-[(2S)-2-(aminodiazenyl)-2-cyclohexa-2,4-dien-1-ylethyl]cyclohexa-1,3-diene?
The InChIKey is DPHPDAIFAXTKSL-KZUDCZAMSA-N. The full InChI is InChI=1S/C14H19N3/c15-17-16-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h2-3,5-9,13-14H,1,4,10-11H2,(H2,15,16)/t13?,14-/m0/s1.
What are the key properties of 2-[(2S)-2-(aminodiazenyl)-2-cyclohexa-2,4-dien-1-ylethyl]cyclohexa-1,3-diene?
2-[(2S)-2-(aminodiazenyl)-2-cyclohexa-2,4-dien-1-ylethyl]cyclohexa-1,3-diene has a molecular weight of 229.33 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(aminodiazenyl)-2-cyclohexa-2,4-dien-1-ylethyl]cyclohexa-1,3-diene is sourced from PubChem (CID 89489154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).