benzenecarboximidamide;toluene

C14H16N2 — CID 158219006

IUPACbenzenecarboximidamide;toluene
SMILESCc1ccccc1.[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C7H8N2.C7H8/c8-7(9)6-4-2-1-3-5-6;1-7-5-3-2-4-6-7/h1-5H,(H3,8,9);2-6H,1H3
InChIKeyGDAAMJFYJFVBBU-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.97
Rot. Bonds1

About benzenecarboximidamide;toluene

benzenecarboximidamide;toluene (PubChem CID 158219006) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is benzenecarboximidamide;toluene.

Molecular Properties

Compound Namebenzenecarboximidamide;toluene
PubChem CID158219006
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Namebenzenecarboximidamide;toluene
SMILESCc1ccccc1.[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C7H8N2.C7H8/c8-7(9)6-4-2-1-3-5-6;1-7-5-3-2-4-6-7/h1-5H,(H3,8,9);2-6H,1H3
InChIKeyGDAAMJFYJFVBBU-UHFFFAOYSA-N
XLogP2.97
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.97
H-Bond Donors ≤ 52
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

Benzamidine, hydrochloride
CID 80289
Benzamidine
CID 2332
Stilbamidine
CID 5351747
Benzamidoxime
CID 7259353
1,4-Dihydro-3,6-diphenyl-1,2,4,5-tetrazine
CID 26707
Benzamidine HCl hydrate
CID 16219042
4-Methylbenzene-1-carboximidamide hydrochloride
CID 122753
4-(Trifluoromethyl)benzenecarboximidamide
CID 2777390
Benzamidinium chloride
CID 444655
[1,1':4',1''-Terphenyl]-4,4''-bis(carboximidamide)
CID 11849800
N'-Cyanobenzenecarboximidamide
CID 270782
4-Aminomethyl benzamidine dihydrochloride
CID 2756473

Frequently Asked Questions

What is the IUPAC name of benzenecarboximidamide;toluene?
The IUPAC name of benzenecarboximidamide;toluene (CID 158219006) is benzenecarboximidamide;toluene.
What is the SMILES notation for benzenecarboximidamide;toluene?
The canonical SMILES for benzenecarboximidamide;toluene is Cc1ccccc1.[H]/N=C(\N)c1ccccc1.
What is the InChIKey of benzenecarboximidamide;toluene?
The InChIKey is GDAAMJFYJFVBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2.C7H8/c8-7(9)6-4-2-1-3-5-6;1-7-5-3-2-4-6-7/h1-5H,(H3,8,9);2-6H,1H3.
What are the key properties of benzenecarboximidamide;toluene?
benzenecarboximidamide;toluene has a molecular weight of 212.30 g/mol, XLogP of 2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzenecarboximidamide;toluene is sourced from PubChem (CID 158219006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).