5-[(2Z)-2-(aminohydrazinylidene)ethyl]-1-methylcyclohexa-1,3-diene;ethane

C11H21N3 — CID 143181309

IUPAC5-[(2Z)-2-(aminohydrazinylidene)ethyl]-1-methylcyclohexa-1,3-diene;ethane
SMILESCC.CC1=CC=CC(C/C=N\NN)C1
InChIInChI=1S/C9H15N3.C2H6/c1-8-3-2-4-9(7-8)5-6-11-12-10;1-2/h2-4,6,9,12H,5,7,10H2,1H3;1-2H3/b11-6-;
InChIKeyUWVPYSAAYFNAIQ-AVHZNCSWSA-N
MW195.31 g/mol
LogP2.37
Rot. Bonds3

About 5-[(2Z)-2-(aminohydrazinylidene)ethyl]-1-methylcyclohexa-1,3-diene;ethane

5-[(2Z)-2-(aminohydrazinylidene)ethyl]-1-methylcyclohexa-1,3-diene;ethane (PubChem CID 143181309) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-[(2Z)-2-(aminohydrazinylidene)ethyl]-1-methylcyclohexa-1,3-diene;ethane.

Molecular Properties

Compound Name5-[(2Z)-2-(aminohydrazinylidene)ethyl]-1-methylcyclohexa-1,3-diene;ethane
PubChem CID143181309
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name5-[(2Z)-2-(aminohydrazinylidene)ethyl]-1-methylcyclohexa-1,3-diene;ethane
SMILESCC.CC1=CC=CC(C/C=N\NN)C1
InChIInChI=1S/C9H15N3.C2H6/c1-8-3-2-4-9(7-8)5-6-11-12-10;1-2/h2-4,6,9,12H,5,7,10H2,1H3;1-2H3/b11-6-;
InChIKeyUWVPYSAAYFNAIQ-AVHZNCSWSA-N
XLogP2.37
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(6-Methylcyclohexa-1,3-dien-1-yl)propan-1-imine
CID 89893781
4-Cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-1-imine
CID 91615402
(4R,6Z)-4-methyl-3-methylidenenona-6,8-dien-1-imine
CID 121307032
(Z)-(5,6-dimethylcyclohexa-2,4-dien-1-yl)methylidenehydrazine
CID 121451422
3-[(6-Methylcyclohepta-1,2,4,6-tetraen-1-yl)methyl]pentan-1-imine
CID 123575362
3-Butan-2-yl-2,7-dimethylocta-5,7-dien-1-imine
CID 124022710
(E)-3-(3-cyclohex-3-en-1-ylprop-2-enyl)-N'-methyl-4-methylidenepent-2-ene-1,5-diimine
CID 129238427
[(1S)-cyclohex-3-en-1-yl]methylidenehydrazine
CID 130374563
Cyclohex-3-en-1-ylmethylidenehydrazine
CID 130374667
(Z)-[(2Z)-2-butan-2-ylpenta-2,4-dienylidene]hydrazine
CID 134431806
Prop-1-ene;(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine
CID 143243657
ethane;(Z)-4-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)but-3-en-1-imine
CID 144552273

Frequently Asked Questions

What is the IUPAC name of 5-[(2Z)-2-(aminohydrazinylidene)ethyl]-1-methylcyclohexa-1,3-diene;ethane?
The IUPAC name of 5-[(2Z)-2-(aminohydrazinylidene)ethyl]-1-methylcyclohexa-1,3-diene;ethane (CID 143181309) is 5-[(2Z)-2-(aminohydrazinylidene)ethyl]-1-methylcyclohexa-1,3-diene;ethane.
What is the SMILES notation for 5-[(2Z)-2-(aminohydrazinylidene)ethyl]-1-methylcyclohexa-1,3-diene;ethane?
The canonical SMILES for 5-[(2Z)-2-(aminohydrazinylidene)ethyl]-1-methylcyclohexa-1,3-diene;ethane is CC.CC1=CC=CC(C/C=N\NN)C1.
What is the InChIKey of 5-[(2Z)-2-(aminohydrazinylidene)ethyl]-1-methylcyclohexa-1,3-diene;ethane?
The InChIKey is UWVPYSAAYFNAIQ-AVHZNCSWSA-N. The full InChI is InChI=1S/C9H15N3.C2H6/c1-8-3-2-4-9(7-8)5-6-11-12-10;1-2/h2-4,6,9,12H,5,7,10H2,1H3;1-2H3/b11-6-;.
What are the key properties of 5-[(2Z)-2-(aminohydrazinylidene)ethyl]-1-methylcyclohexa-1,3-diene;ethane?
5-[(2Z)-2-(aminohydrazinylidene)ethyl]-1-methylcyclohexa-1,3-diene;ethane has a molecular weight of 195.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z)-2-(aminohydrazinylidene)ethyl]-1-methylcyclohexa-1,3-diene;ethane is sourced from PubChem (CID 143181309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).