butanimidamide;dihydrochloride

C4H12Cl2N2 — CID 18758779

IUPACbutanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(/N)CCC
InChIInChI=1S/C4H10N2.2ClH/c1-2-3-4(5)6;;/h2-3H2,1H3,(H3,5,6);2*1H
InChIKeyIQIXQINTSRHNDE-UHFFFAOYSA-N
MW159.06 g/mol
LogP1.57
Rot. Bonds2

About butanimidamide;dihydrochloride

butanimidamide;dihydrochloride (PubChem CID 18758779) has the molecular formula C4H12Cl2N2 and a molecular weight of 159.06 g/mol. Its IUPAC name is butanimidamide;dihydrochloride.

Molecular Properties

Compound Namebutanimidamide;dihydrochloride
PubChem CID18758779
Molecular FormulaC4H12Cl2N2
Molecular Weight159.06 g/mol
Exact Mass158.04
IUPAC Namebutanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(/N)CCC
InChIInChI=1S/C4H10N2.2ClH/c1-2-3-4(5)6;;/h2-3H2,1H3,(H3,5,6);2*1H
InChIKeyIQIXQINTSRHNDE-UHFFFAOYSA-N
XLogP1.57
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.06
LogP ≤ 51.57
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;dihydrochloride?
The IUPAC name of butanimidamide;dihydrochloride (CID 18758779) is butanimidamide;dihydrochloride.
What is the SMILES notation for butanimidamide;dihydrochloride?
The canonical SMILES for butanimidamide;dihydrochloride is Cl.Cl.[H]/N=C(/N)CCC.
What is the InChIKey of butanimidamide;dihydrochloride?
The InChIKey is IQIXQINTSRHNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.2ClH/c1-2-3-4(5)6;;/h2-3H2,1H3,(H3,5,6);2*1H.
What are the key properties of butanimidamide;dihydrochloride?
butanimidamide;dihydrochloride has a molecular weight of 159.06 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butanimidamide;dihydrochloride is sourced from PubChem (CID 18758779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).