2-(aminomethyl)-3-hydroxypropanimidamide;dihydrochloride

C4H13Cl2N3O — CID 139844009

IUPAC2-(aminomethyl)-3-hydroxypropanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)C(CN)CO
InChIInChI=1S/C4H11N3O.2ClH/c5-1-3(2-8)4(6)7;;/h3,8H,1-2,5H2,(H3,6,7);2*1H
InChIKeyHJSMCBIICFDWOH-UHFFFAOYSA-N
MW190.07 g/mol
LogP-0.67
Rot. Bonds3

About 2-(aminomethyl)-3-hydroxypropanimidamide;dihydrochloride

2-(aminomethyl)-3-hydroxypropanimidamide;dihydrochloride (PubChem CID 139844009) has the molecular formula C4H13Cl2N3O and a molecular weight of 190.07 g/mol. Its IUPAC name is 2-(aminomethyl)-3-hydroxypropanimidamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-3-hydroxypropanimidamide;dihydrochloride
PubChem CID139844009
Molecular FormulaC4H13Cl2N3O
Molecular Weight190.07 g/mol
Exact Mass189.04
IUPAC Name2-(aminomethyl)-3-hydroxypropanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)C(CN)CO
InChIInChI=1S/C4H11N3O.2ClH/c5-1-3(2-8)4(6)7;;/h3,8H,1-2,5H2,(H3,6,7);2*1H
InChIKeyHJSMCBIICFDWOH-UHFFFAOYSA-N
XLogP-0.67
TPSA96.12 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 2-(aminomethyl)-3-hydroxypropanimidamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-3-hydroxypropanimidamide;dihydrochloride (CID 139844009) is 2-(aminomethyl)-3-hydroxypropanimidamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-3-hydroxypropanimidamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-3-hydroxypropanimidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)C(CN)CO.
What is the InChIKey of 2-(aminomethyl)-3-hydroxypropanimidamide;dihydrochloride?
The InChIKey is HJSMCBIICFDWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O.2ClH/c5-1-3(2-8)4(6)7;;/h3,8H,1-2,5H2,(H3,6,7);2*1H.
What are the key properties of 2-(aminomethyl)-3-hydroxypropanimidamide;dihydrochloride?
2-(aminomethyl)-3-hydroxypropanimidamide;dihydrochloride has a molecular weight of 190.07 g/mol, XLogP of -0.67, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-hydroxypropanimidamide;dihydrochloride is sourced from PubChem (CID 139844009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).