3-aminopropanimidamide;dihydrochloride

C3H11Cl2N3 — CID 11693945

IUPAC3-aminopropanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCN
InChIInChI=1S/C3H9N3.2ClH/c4-2-1-3(5)6;;/h1-2,4H2,(H3,5,6);2*1H
InChIKeyORZGVCWUYHZYGM-UHFFFAOYSA-N
MW160.05 g/mol
LogP0.11
Rot. Bonds2

About 3-aminopropanimidamide;dihydrochloride

3-aminopropanimidamide;dihydrochloride (PubChem CID 11693945) has the molecular formula C3H11Cl2N3 and a molecular weight of 160.05 g/mol. Its IUPAC name is 3-aminopropanimidamide;dihydrochloride.

Molecular Properties

Compound Name3-aminopropanimidamide;dihydrochloride
PubChem CID11693945
Molecular FormulaC3H11Cl2N3
Molecular Weight160.05 g/mol
Exact Mass159.03
IUPAC Name3-aminopropanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCN
InChIInChI=1S/C3H9N3.2ClH/c4-2-1-3(5)6;;/h1-2,4H2,(H3,5,6);2*1H
InChIKeyORZGVCWUYHZYGM-UHFFFAOYSA-N
XLogP0.11
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.05
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-aminopropanimidamide;dihydrochloride?
The IUPAC name of 3-aminopropanimidamide;dihydrochloride (CID 11693945) is 3-aminopropanimidamide;dihydrochloride.
What is the SMILES notation for 3-aminopropanimidamide;dihydrochloride?
The canonical SMILES for 3-aminopropanimidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)CCN.
What is the InChIKey of 3-aminopropanimidamide;dihydrochloride?
The InChIKey is ORZGVCWUYHZYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3.2ClH/c4-2-1-3(5)6;;/h1-2,4H2,(H3,5,6);2*1H.
What are the key properties of 3-aminopropanimidamide;dihydrochloride?
3-aminopropanimidamide;dihydrochloride has a molecular weight of 160.05 g/mol, XLogP of 0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanimidamide;dihydrochloride is sourced from PubChem (CID 11693945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).