3-methylbenzenecarboximidamide;hydrochloride

C8H11ClN2 — CID 2800701

IUPAC3-methylbenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc(C)c1
InChIInChI=1S/C8H10N2.ClH/c1-6-3-2-4-7(5-6)8(9)10;/h2-5H,1H3,(H3,9,10);1H
InChIKeyQEAXZIMXYPAZAX-UHFFFAOYSA-N
MW170.64 g/mol
LogP1.70
Rot. Bonds1

About 3-methylbenzenecarboximidamide;hydrochloride

3-methylbenzenecarboximidamide;hydrochloride (PubChem CID 2800701) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 3-methylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name3-methylbenzenecarboximidamide;hydrochloride
PubChem CID2800701
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name3-methylbenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc(C)c1
InChIInChI=1S/C8H10N2.ClH/c1-6-3-2-4-7(5-6)8(9)10;/h2-5H,1H3,(H3,9,10);1H
InChIKeyQEAXZIMXYPAZAX-UHFFFAOYSA-N
XLogP1.70
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 51.70
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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Frequently Asked Questions

What is the IUPAC name of 3-methylbenzenecarboximidamide;hydrochloride?
The IUPAC name of 3-methylbenzenecarboximidamide;hydrochloride (CID 2800701) is 3-methylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 3-methylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for 3-methylbenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cccc(C)c1.
What is the InChIKey of 3-methylbenzenecarboximidamide;hydrochloride?
The InChIKey is QEAXZIMXYPAZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.ClH/c1-6-3-2-4-7(5-6)8(9)10;/h2-5H,1H3,(H3,9,10);1H.
What are the key properties of 3-methylbenzenecarboximidamide;hydrochloride?
3-methylbenzenecarboximidamide;hydrochloride has a molecular weight of 170.64 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 2800701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).