butanimidamide;hydrochloride

C4H11ClN2 — CID 12828983

IUPACbutanimidamide;hydrochloride
SMILESCl.[H]/N=C(/N)CCC
InChIInChI=1S/C4H10N2.ClH/c1-2-3-4(5)6;/h2-3H2,1H3,(H3,5,6);1H
InChIKeySTYCVEYASXULRN-UHFFFAOYSA-N
MW122.60 g/mol
LogP1.14
Rot. Bonds2

About butanimidamide;hydrochloride

butanimidamide;hydrochloride (PubChem CID 12828983) has the molecular formula C4H11ClN2 and a molecular weight of 122.60 g/mol. Its IUPAC name is butanimidamide;hydrochloride.

Molecular Properties

Compound Namebutanimidamide;hydrochloride
PubChem CID12828983
Molecular FormulaC4H11ClN2
Molecular Weight122.60 g/mol
Exact Mass122.06
IUPAC Namebutanimidamide;hydrochloride
SMILESCl.[H]/N=C(/N)CCC
InChIInChI=1S/C4H10N2.ClH/c1-2-3-4(5)6;/h2-3H2,1H3,(H3,5,6);1H
InChIKeySTYCVEYASXULRN-UHFFFAOYSA-N
XLogP1.14
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.60
LogP ≤ 51.14
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 butanimidamide;hydrochloride?
The IUPAC name of butanimidamide;hydrochloride (CID 12828983) is butanimidamide;hydrochloride.
What is the SMILES notation for butanimidamide;hydrochloride?
The canonical SMILES for butanimidamide;hydrochloride is Cl.[H]/N=C(/N)CCC.
What is the InChIKey of butanimidamide;hydrochloride?
The InChIKey is STYCVEYASXULRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.ClH/c1-2-3-4(5)6;/h2-3H2,1H3,(H3,5,6);1H.
What are the key properties of butanimidamide;hydrochloride?
butanimidamide;hydrochloride has a molecular weight of 122.60 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butanimidamide;hydrochloride is sourced from PubChem (CID 12828983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).