N-(2-ethenylcyclohexa-1,5-dien-1-yl)-N'-methylmethanimidamide

C10H14N2 — CID 129060116

IUPACN-(2-ethenylcyclohexa-1,5-dien-1-yl)-N'-methylmethanimidamide
SMILESCN=CNC1=C(CCC=C1)C=C
InChIInChI=1S/C10H14N2/c1-3-9-6-4-5-7-10(9)12-8-11-2/h3,5,7-8H,1,4,6H2,2H3,(H,11,12)
InChIKeySQVXANXZJNCGOQ-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.60
Rot. Bonds3

About N-(2-ethenylcyclohexa-1,5-dien-1-yl)-N'-methylmethanimidamide

N-(2-ethenylcyclohexa-1,5-dien-1-yl)-N'-methylmethanimidamide (PubChem CID 129060116) has the molecular formula C10H14N2 and a molecular weight of 162.23 g/mol. Its IUPAC name is N-(2-ethenylcyclohexa-1,5-dien-1-yl)-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-(2-ethenylcyclohexa-1,5-dien-1-yl)-N'-methylmethanimidamide
PubChem CID129060116
Molecular FormulaC10H14N2
Molecular Weight162.23 g/mol
Exact Mass162.12
IUPAC NameN-(2-ethenylcyclohexa-1,5-dien-1-yl)-N'-methylmethanimidamide
SMILESCN=CNC1=C(CCC=C1)C=C
InChIInChI=1S/C10H14N2/c1-3-9-6-4-5-7-10(9)12-8-11-2/h3,5,7-8H,1,4,6H2,2H3,(H,11,12)
InChIKeySQVXANXZJNCGOQ-UHFFFAOYSA-N
XLogP1.60
TPSA24.40 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity247

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
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

4-(1-fluoropropyl)-6-methylidene-1H-pyrimidine
CID 144606019
N-(2,4-dimethylcyclohexa-1,5-dien-1-yl)-N'-methylcarbamimidoyl fluoride
CID 153584642
N-[(3Z,5Z)-2-fluoro-6,8-dimethylnona-1,3,5-trien-5-yl]-N'-methylmethanimidamide
CID 166838186
4-Methyl-6-(trifluoromethyl)-3,8a-dihydroquinazoline
CID 149166937
4,5-dihydro-1H-cyclopenta[d]pyrimidine
CID 68168319
4,7-dihydro-1H-cyclopenta[d]pyrimidine
CID 68168320
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
5,6-dihydro-1H-quinazoline-4-thione
CID 89986516
1,4,7,8-Tetrahydroquinazoline
CID 91106721
1,4,5,6-Tetrahydroquinazoline
CID 91430266
6-Cyclohepta-1,6-dien-1-yl-1,4-dihydropyrimidin-4-amine
CID 117792001
4-(2,5-Dimethylhexa-2,4-dien-3-yl)-5-methyl-1,4-dihydropyrimidine
CID 123294210

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenylcyclohexa-1,5-dien-1-yl)-N'-methylmethanimidamide?
The IUPAC name of N-(2-ethenylcyclohexa-1,5-dien-1-yl)-N'-methylmethanimidamide (CID 129060116) is N-(2-ethenylcyclohexa-1,5-dien-1-yl)-N'-methylmethanimidamide.
What is the SMILES notation for N-(2-ethenylcyclohexa-1,5-dien-1-yl)-N'-methylmethanimidamide?
The canonical SMILES for N-(2-ethenylcyclohexa-1,5-dien-1-yl)-N'-methylmethanimidamide is CN=CNC1=C(CCC=C1)C=C.
What is the InChIKey of N-(2-ethenylcyclohexa-1,5-dien-1-yl)-N'-methylmethanimidamide?
The InChIKey is SQVXANXZJNCGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-9-6-4-5-7-10(9)12-8-11-2/h3,5,7-8H,1,4,6H2,2H3,(H,11,12).
What are the key properties of N-(2-ethenylcyclohexa-1,5-dien-1-yl)-N'-methylmethanimidamide?
N-(2-ethenylcyclohexa-1,5-dien-1-yl)-N'-methylmethanimidamide has a molecular weight of 162.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenylcyclohexa-1,5-dien-1-yl)-N'-methylmethanimidamide is sourced from PubChem (CID 129060116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).