cyclohexa-1,5-diene-1-carboximidamide;ethane

C9H16N2 — CID 143671547

IUPACcyclohexa-1,5-diene-1-carboximidamide;ethane
SMILESCC.[H]/N=C(\N)C1=CCCC=C1
InChIInChI=1S/C7H10N2.C2H6/c8-7(9)6-4-2-1-3-5-6;1-2/h2,4-5H,1,3H2,(H3,8,9);1-2H3
InChIKeySLWXLHUMVRAKRV-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.22
Rot. Bonds1

About cyclohexa-1,5-diene-1-carboximidamide;ethane

cyclohexa-1,5-diene-1-carboximidamide;ethane (PubChem CID 143671547) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is cyclohexa-1,5-diene-1-carboximidamide;ethane.

Molecular Properties

Compound Namecyclohexa-1,5-diene-1-carboximidamide;ethane
PubChem CID143671547
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Namecyclohexa-1,5-diene-1-carboximidamide;ethane
SMILESCC.[H]/N=C(\N)C1=CCCC=C1
InChIInChI=1S/C7H10N2.C2H6/c8-7(9)6-4-2-1-3-5-6;1-2/h2,4-5H,1,3H2,(H3,8,9);1-2H3
InChIKeySLWXLHUMVRAKRV-UHFFFAOYSA-N
XLogP2.22
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze cyclohexa-1,5-diene-1-carboximidamide;ethane 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

Cyclohexa-1,5-diene-1-carboximidamide
CID 17881718
Cyclopentadienylamidine
CID 59145620
(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide
CID 91021348
(2Z)-3-(5-fluoro-2-methylcyclohepta-1,4,6-trien-1-yl)-4-methyl-2-prop-1-enylpenta-2,4-dienimidamide
CID 123653519
(2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide
CID 142166721
[Amino(cyclohexa-1,3,4-trien-1-yl)methylidene]azanium
CID 132595472
4-Methylidenecyclohexa-1,5-diene-1-carboximidamide
CID 17905983
2-Methylidenepent-3-enimidamide
CID 57266179
3-Ethylbenzene-4-ide-1-carboximidamide;yttrium
CID 57863166
Benzenecarboximidamide;tungsten
CID 58182739
3-Sulfanylidenecyclohexa-1,5-diene-1-carboximidamide
CID 87956727
4-Methylcyclohexa-1,3-diene-1-carboximidamide
CID 89378274

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-diene-1-carboximidamide;ethane?
The IUPAC name of cyclohexa-1,5-diene-1-carboximidamide;ethane (CID 143671547) is cyclohexa-1,5-diene-1-carboximidamide;ethane.
What is the SMILES notation for cyclohexa-1,5-diene-1-carboximidamide;ethane?
The canonical SMILES for cyclohexa-1,5-diene-1-carboximidamide;ethane is CC.[H]/N=C(\N)C1=CCCC=C1.
What is the InChIKey of cyclohexa-1,5-diene-1-carboximidamide;ethane?
The InChIKey is SLWXLHUMVRAKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C2H6/c8-7(9)6-4-2-1-3-5-6;1-2/h2,4-5H,1,3H2,(H3,8,9);1-2H3.
What are the key properties of cyclohexa-1,5-diene-1-carboximidamide;ethane?
cyclohexa-1,5-diene-1-carboximidamide;ethane has a molecular weight of 152.24 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-diene-1-carboximidamide;ethane is sourced from PubChem (CID 143671547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).