N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide

C10H12N2 — CID 129275588

IUPACN'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide
SMILESC=C1C=CC=C/C1=N\C(C)=N\C
InChIInChI=1S/C10H12N2/c1-8-6-4-5-7-10(8)12-9(2)11-3/h4-7H,1H2,2-3H3/b11-9+,12-10+
InChIKeyPUNAYRQMZQNAEP-WGDLNXRISA-N
MW160.22 g/mol
LogP2.16
Rot. Bonds

About N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide

N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide (PubChem CID 129275588) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide
PubChem CID129275588
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC NameN'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide
SMILESC=C1C=CC=C/C1=N\C(C)=N\C
InChIInChI=1S/C10H12N2/c1-8-6-4-5-7-10(8)12-9(2)11-3/h4-7H,1H2,2-3H3/b11-9+,12-10+
InChIKeyPUNAYRQMZQNAEP-WGDLNXRISA-N
XLogP2.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.16
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

4H-cyclohepta[d]pyrimidine
CID 45080391
(NZ)-N-[(4E)-5-fluoro-2-methylhepta-1,4,6-trien-3-ylidene]-N'-methylcarbamimidoyl chloride
CID 142498574
N-[(3E,5Z)-3-fluoro-5-methylhepta-3,5-dien-2-ylidene]-N'-methylethanimidamide
CID 170031327
N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
CID 135027828
N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
CID 135042691
1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine
CID 18724211
4-Ethenyl-2,2-dimethylbenzimidazole
CID 20537676
N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 21859815
5-methyl-2H-benzimidazole
CID 22891152
Indol-2-ylidenecyanamide
CID 42635632
2-propan-2-yl-3aH-benzimidazole
CID 53400241
6-methyl-3aH-benzimidazole
CID 53400306

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide?
The IUPAC name of N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide (CID 129275588) is N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide.
What is the SMILES notation for N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide?
The canonical SMILES for N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide is C=C1C=CC=C/C1=N\C(C)=N\C.
What is the InChIKey of N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide?
The InChIKey is PUNAYRQMZQNAEP-WGDLNXRISA-N. The full InChI is InChI=1S/C10H12N2/c1-8-6-4-5-7-10(8)12-9(2)11-3/h4-7H,1H2,2-3H3/b11-9+,12-10+.
What are the key properties of N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide?
N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide has a molecular weight of 160.22 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide is sourced from PubChem (CID 129275588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).