N-methylidenecyclohexa-2,4-diene-1-carboximidamide

C8H10N2 — CID 134198615

IUPACN-methylidenecyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N=C)C1C=CC=CC1
InChIInChI=1S/C8H10N2/c1-10-8(9)7-5-3-2-4-6-7/h2-5,7,9H,1,6H2/b9-8-
InChIKeyLNTNMIGGROMPTK-HJWRWDBZSA-N
MW134.18 g/mol
LogP1.80
Rot. Bonds1

About N-methylidenecyclohexa-2,4-diene-1-carboximidamide

N-methylidenecyclohexa-2,4-diene-1-carboximidamide (PubChem CID 134198615) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is N-methylidenecyclohexa-2,4-diene-1-carboximidamide.

Molecular Properties

Compound NameN-methylidenecyclohexa-2,4-diene-1-carboximidamide
PubChem CID134198615
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC NameN-methylidenecyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N=C)C1C=CC=CC1
InChIInChI=1S/C8H10N2/c1-10-8(9)7-5-3-2-4-6-7/h2-5,7,9H,1,6H2/b9-8-
InChIKeyLNTNMIGGROMPTK-HJWRWDBZSA-N
XLogP1.80
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.80
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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Frequently Asked Questions

What is the IUPAC name of N-methylidenecyclohexa-2,4-diene-1-carboximidamide?
The IUPAC name of N-methylidenecyclohexa-2,4-diene-1-carboximidamide (CID 134198615) is N-methylidenecyclohexa-2,4-diene-1-carboximidamide.
What is the SMILES notation for N-methylidenecyclohexa-2,4-diene-1-carboximidamide?
The canonical SMILES for N-methylidenecyclohexa-2,4-diene-1-carboximidamide is [H]/N=C(\N=C)C1C=CC=CC1.
What is the InChIKey of N-methylidenecyclohexa-2,4-diene-1-carboximidamide?
The InChIKey is LNTNMIGGROMPTK-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H10N2/c1-10-8(9)7-5-3-2-4-6-7/h2-5,7,9H,1,6H2/b9-8-.
What are the key properties of N-methylidenecyclohexa-2,4-diene-1-carboximidamide?
N-methylidenecyclohexa-2,4-diene-1-carboximidamide has a molecular weight of 134.18 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidenecyclohexa-2,4-diene-1-carboximidamide is sourced from PubChem (CID 134198615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).