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

C15H21N3 — CID 89489153

IUPAC2-[(1S)-1-(aminodiazenyl)-3-cyclohexa-2,4-dien-1-ylpropyl]cyclohexa-1,3-diene
SMILESN/N=N/[C@@H](CCC1C=CC=CC1)C1=CCCC=C1
InChIInChI=1S/C15H21N3/c16-18-17-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-5,7,9-10,13,15H,2,6,8,11-12H2,(H2,16,17)/t13?,15-/m0/s1
InChIKeyIBBAKTIQXLQRSU-WUJWULDRSA-N
MW243.35 g/mol
LogP3.87
Rot. Bonds5

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

2-[(1S)-1-(aminodiazenyl)-3-cyclohexa-2,4-dien-1-ylpropyl]cyclohexa-1,3-diene (PubChem CID 89489153) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[(1S)-1-(aminodiazenyl)-3-cyclohexa-2,4-dien-1-ylpropyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[(1S)-1-(aminodiazenyl)-3-cyclohexa-2,4-dien-1-ylpropyl]cyclohexa-1,3-diene
PubChem CID89489153
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[(1S)-1-(aminodiazenyl)-3-cyclohexa-2,4-dien-1-ylpropyl]cyclohexa-1,3-diene
SMILESN/N=N/[C@@H](CCC1C=CC=CC1)C1=CCCC=C1
InChIInChI=1S/C15H21N3/c16-18-17-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-5,7,9-10,13,15H,2,6,8,11-12H2,(H2,16,17)/t13?,15-/m0/s1
InChIKeyIBBAKTIQXLQRSU-WUJWULDRSA-N
XLogP3.87
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.87
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(aminodiazenyl)-3-cyclohexa-2,4-dien-1-ylpropyl]cyclohexa-1,3-diene?
The IUPAC name of 2-[(1S)-1-(aminodiazenyl)-3-cyclohexa-2,4-dien-1-ylpropyl]cyclohexa-1,3-diene (CID 89489153) is 2-[(1S)-1-(aminodiazenyl)-3-cyclohexa-2,4-dien-1-ylpropyl]cyclohexa-1,3-diene.
What is the SMILES notation for 2-[(1S)-1-(aminodiazenyl)-3-cyclohexa-2,4-dien-1-ylpropyl]cyclohexa-1,3-diene?
The canonical SMILES for 2-[(1S)-1-(aminodiazenyl)-3-cyclohexa-2,4-dien-1-ylpropyl]cyclohexa-1,3-diene is N/N=N/[C@@H](CCC1C=CC=CC1)C1=CCCC=C1.
What is the InChIKey of 2-[(1S)-1-(aminodiazenyl)-3-cyclohexa-2,4-dien-1-ylpropyl]cyclohexa-1,3-diene?
The InChIKey is IBBAKTIQXLQRSU-WUJWULDRSA-N. The full InChI is InChI=1S/C15H21N3/c16-18-17-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-5,7,9-10,13,15H,2,6,8,11-12H2,(H2,16,17)/t13?,15-/m0/s1.
What are the key properties of 2-[(1S)-1-(aminodiazenyl)-3-cyclohexa-2,4-dien-1-ylpropyl]cyclohexa-1,3-diene?
2-[(1S)-1-(aminodiazenyl)-3-cyclohexa-2,4-dien-1-ylpropyl]cyclohexa-1,3-diene has a molecular weight of 243.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(aminodiazenyl)-3-cyclohexa-2,4-dien-1-ylpropyl]cyclohexa-1,3-diene is sourced from PubChem (CID 89489153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).