N'-methylcyclohexa-2,4-diene-1-carboximidamide

C8H12N2 — CID 144989754

IUPACN'-methylcyclohexa-2,4-diene-1-carboximidamide
SMILESC/N=C(\N)C1C=CC=CC1
InChIInChI=1S/C8H12N2/c1-10-8(9)7-5-3-2-4-6-7/h2-5,7H,6H2,1H3,(H2,9,10)
InChIKeyQODPYSDXWRYDPP-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.11
Rot. Bonds1

About N'-methylcyclohexa-2,4-diene-1-carboximidamide

N'-methylcyclohexa-2,4-diene-1-carboximidamide (PubChem CID 144989754) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N'-methylcyclohexa-2,4-diene-1-carboximidamide.

Molecular Properties

Compound NameN'-methylcyclohexa-2,4-diene-1-carboximidamide
PubChem CID144989754
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN'-methylcyclohexa-2,4-diene-1-carboximidamide
SMILESC/N=C(\N)C1C=CC=CC1
InChIInChI=1S/C8H12N2/c1-10-8(9)7-5-3-2-4-6-7/h2-5,7H,6H2,1H3,(H2,9,10)
InChIKeyQODPYSDXWRYDPP-UHFFFAOYSA-N
XLogP1.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.11
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'-methylcyclohexa-2,4-diene-1-carboximidamide?
The IUPAC name of N'-methylcyclohexa-2,4-diene-1-carboximidamide (CID 144989754) is N'-methylcyclohexa-2,4-diene-1-carboximidamide.
What is the SMILES notation for N'-methylcyclohexa-2,4-diene-1-carboximidamide?
The canonical SMILES for N'-methylcyclohexa-2,4-diene-1-carboximidamide is C/N=C(\N)C1C=CC=CC1.
What is the InChIKey of N'-methylcyclohexa-2,4-diene-1-carboximidamide?
The InChIKey is QODPYSDXWRYDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-10-8(9)7-5-3-2-4-6-7/h2-5,7H,6H2,1H3,(H2,9,10).
What are the key properties of N'-methylcyclohexa-2,4-diene-1-carboximidamide?
N'-methylcyclohexa-2,4-diene-1-carboximidamide has a molecular weight of 136.20 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylcyclohexa-2,4-diene-1-carboximidamide is sourced from PubChem (CID 144989754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).