N'-methyl-N-methylidenecyclooctatetraenecarboximidamide

C11H12N2 — CID 123510649

IUPACN'-methyl-N-methylidenecyclooctatetraenecarboximidamide
SMILESC=N/C(=N\C)C1=CC=CC=CC=C1
InChIInChI=1S/C11H12N2/c1-12-11(13-2)10-8-6-4-3-5-7-9-10/h3-9H,1H2,2H3/b4-3?,5-3?,6-4?,7-5?,8-6?,9-7?,10-8?,10-9?,13-11-
InChIKeyMZERWZDRYWBCKT-CAJRRVMMSA-N
MW172.23 g/mol
LogP2.32
Rot. Bonds1

About N'-methyl-N-methylidenecyclooctatetraenecarboximidamide

N'-methyl-N-methylidenecyclooctatetraenecarboximidamide (PubChem CID 123510649) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N'-methyl-N-methylidenecyclooctatetraenecarboximidamide.

Molecular Properties

Compound NameN'-methyl-N-methylidenecyclooctatetraenecarboximidamide
PubChem CID123510649
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC NameN'-methyl-N-methylidenecyclooctatetraenecarboximidamide
SMILESC=N/C(=N\C)C1=CC=CC=CC=C1
InChIInChI=1S/C11H12N2/c1-12-11(13-2)10-8-6-4-3-5-7-9-10/h3-9H,1H2,2H3/b4-3?,5-3?,6-4?,7-5?,8-6?,9-7?,10-8?,10-9?,13-11-
InChIKeyMZERWZDRYWBCKT-CAJRRVMMSA-N
XLogP2.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,3E)-2-ethylidene-4-fluoro-N'-methylhexa-3,5-dienimidamide
CID 144000610
(2Z,3Z,5E)-2-(2-fluoropropylidene)-N'-methylhepta-3,5-dienimidamide
CID 173891222
N'-methylbicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboximidamide
CID 21447262
(3Z)-3-ethylidene-N-methylpyridin-2-imine
CID 68010675
N'-ethenyl-N-methylidenecyclooctatetraenecarboximidamide
CID 90722831
N-[(2E,4Z)-1-amino-2-methylhepta-2,4,6-trienylidene]cyclopenta-1,2,4-triene-1-carboximidamide
CID 118641902
N'-methanimidoyl-2,4-dimethylpenta-2,4-dienimidamide
CID 123140467
(2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide
CID 123348002
5-but-2-enylidene-4-methyl-4H-pyrimidine
CID 123720032
N'-methyl-2-methylidenehex-3-enimidamide
CID 123957031
(5Z,7Z)-5-[(1Z)-buta-1,3-dienyl]-6-methyl-9-methylidene-4H-1,3-diazecine
CID 130294702
(1E,3Z)-N'-methylcycloocta-1,3,6-triene-1-carboximidamide
CID 132095951

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-methylidenecyclooctatetraenecarboximidamide?
The IUPAC name of N'-methyl-N-methylidenecyclooctatetraenecarboximidamide (CID 123510649) is N'-methyl-N-methylidenecyclooctatetraenecarboximidamide.
What is the SMILES notation for N'-methyl-N-methylidenecyclooctatetraenecarboximidamide?
The canonical SMILES for N'-methyl-N-methylidenecyclooctatetraenecarboximidamide is C=N/C(=N\C)C1=CC=CC=CC=C1.
What is the InChIKey of N'-methyl-N-methylidenecyclooctatetraenecarboximidamide?
The InChIKey is MZERWZDRYWBCKT-CAJRRVMMSA-N. The full InChI is InChI=1S/C11H12N2/c1-12-11(13-2)10-8-6-4-3-5-7-9-10/h3-9H,1H2,2H3/b4-3?,5-3?,6-4?,7-5?,8-6?,9-7?,10-8?,10-9?,13-11-.
What are the key properties of N'-methyl-N-methylidenecyclooctatetraenecarboximidamide?
N'-methyl-N-methylidenecyclooctatetraenecarboximidamide has a molecular weight of 172.23 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-methylidenecyclooctatetraenecarboximidamide is sourced from PubChem (CID 123510649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).