(E)-N-(ethyldiazenyl)-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine

C11H17N3 — CID 145466964

IUPAC(E)-N-(ethyldiazenyl)-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine
SMILESCC/N=N/N=C(\C)C1=CC=C(C)CC1
InChIInChI=1S/C11H17N3/c1-4-12-14-13-10(3)11-7-5-9(2)6-8-11/h5,7H,4,6,8H2,1-3H3/b13-10+,14-12+
InChIKeyGLRXLAGBICXNOX-ADWQEOMMSA-N
MW191.28 g/mol
LogP3.50
Rot. Bonds3

About (E)-N-(ethyldiazenyl)-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine

(E)-N-(ethyldiazenyl)-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine (PubChem CID 145466964) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (E)-N-(ethyldiazenyl)-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine.

Molecular Properties

Compound Name(E)-N-(ethyldiazenyl)-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine
PubChem CID145466964
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(E)-N-(ethyldiazenyl)-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine
SMILESCC/N=N/N=C(\C)C1=CC=C(C)CC1
InChIInChI=1S/C11H17N3/c1-4-12-14-13-10(3)11-7-5-9(2)6-8-11/h5,7H,4,6,8H2,1-3H3/b13-10+,14-12+
InChIKeyGLRXLAGBICXNOX-ADWQEOMMSA-N
XLogP3.50
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 53.50
H-Bond Donors ≤ 50
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-(ethyldiazenyl)-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine with MolForge

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

Launch Full Analysis

Related Compounds

1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene
CID 123312515
1-[(E)-but-2-en-2-yl]-4-methylcyclohexa-1,3-diene
CID 142494440
1-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-one
CID 143214940
4-methylcyclohexa-1,3-diene-1-carboxylic acid
CID 91174535
2-bromo-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanone
CID 123526771
4-methylcyclohexa-1,3-diene-1-carbonyl chloride
CID 89058972
1,4-dimethylcyclohexa-1,3-diene;1,4-xylene
CID 142004310
ethane;methyl 4-methylcyclohexa-1,3-diene-1-carboxylate
CID 142945480
6-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-1,5-dien-4-one
CID 91751074
N-ethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide
CID 143130109
methane;4-methylcyclohexa-1,3-dien-1-ol
CID 142050116
1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene
CID 123323176

Frequently Asked Questions

What is the IUPAC name of (E)-N-(ethyldiazenyl)-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine?
The IUPAC name of (E)-N-(ethyldiazenyl)-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine (CID 145466964) is (E)-N-(ethyldiazenyl)-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine.
What is the SMILES notation for (E)-N-(ethyldiazenyl)-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine?
The canonical SMILES for (E)-N-(ethyldiazenyl)-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine is CC/N=N/N=C(\C)C1=CC=C(C)CC1.
What is the InChIKey of (E)-N-(ethyldiazenyl)-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine?
The InChIKey is GLRXLAGBICXNOX-ADWQEOMMSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-12-14-13-10(3)11-7-5-9(2)6-8-11/h5,7H,4,6,8H2,1-3H3/b13-10+,14-12+.
What are the key properties of (E)-N-(ethyldiazenyl)-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine?
(E)-N-(ethyldiazenyl)-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine has a molecular weight of 191.28 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(ethyldiazenyl)-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanimine is sourced from PubChem (CID 145466964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).