2-Methylpropanimidamide hydrochloride

C4H11ClN2 — CID 2782053

IUPAC2-methylpropanimidamide;hydrochloride
SMILESCC(C)C(=N)N.Cl
InChIInChI=1S/C4H10N2.ClH/c1-3(2)4(5)6;/h3H,1-2H3,(H3,5,6);1H
InChIKeyVWXLCWNPSOUPPE-UHFFFAOYSA-N
MW122.60 g/mol
LogP—
Rot. Bonds1

About 2-Methylpropanimidamide hydrochloride

2-Methylpropanimidamide hydrochloride (PubChem CID 2782053) has the molecular formula C4H11ClN2 and a molecular weight of 122.60 g/mol. Its IUPAC name is 2-methylpropanimidamide;hydrochloride.

Molecular Properties

Compound Name2-Methylpropanimidamide hydrochloride
PubChem CID2782053
Molecular FormulaC4H11ClN2
Molecular Weight122.60 g/mol
Exact Mass122.06
IUPAC Name2-methylpropanimidamide;hydrochloride
SMILESCC(C)C(=N)N.Cl
InChIInChI=1S/C4H10N2.ClH/c1-3(2)4(5)6;/h3H,1-2H3,(H3,5,6);1H
InChIKeyVWXLCWNPSOUPPE-UHFFFAOYSA-N
XLogP—
TPSA49.90 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity56

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.60
H-Bond Donors ≤ 53
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

Propionamidine hydrochloride
CID 415117
Propanimidamide, 2,2-dimethyl-, hydrochloride (1:1)
CID 2781880
Cyclopropanecarboximidamide hydrochloride
CID 2781916
Butyramidine, hydrochloride
CID 18181
Butanimidamide hydrochloride
CID 12828983
2-Methylpropanimidamide
CID 415118
Butanimidamide
CID 18182
Propionimidamide hydrochloride
CID 12301253
2-Methylbutanimidamide hydrochloride
CID 13548604
3-Methylbutanimidamide hydrochloride
CID 18967932
1-Azanylpropylideneazanium
CID 6346752
3-Methylbutanimidamide
CID 5067946

Frequently Asked Questions

What is the IUPAC name of 2-Methylpropanimidamide hydrochloride?
The IUPAC name of 2-Methylpropanimidamide hydrochloride (CID 2782053) is 2-methylpropanimidamide;hydrochloride.
What is the SMILES notation for 2-Methylpropanimidamide hydrochloride?
The canonical SMILES for 2-Methylpropanimidamide hydrochloride is CC(C)C(=N)N.Cl.
What is the InChIKey of 2-Methylpropanimidamide hydrochloride?
The InChIKey is VWXLCWNPSOUPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.ClH/c1-3(2)4(5)6;/h3H,1-2H3,(H3,5,6);1H.
What are the key properties of 2-Methylpropanimidamide hydrochloride?
2-Methylpropanimidamide hydrochloride has a molecular weight of 122.60 g/mol, XLogP of not available, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Methylpropanimidamide hydrochloride is sourced from PubChem (CID 2782053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).