pyrrolidine-2-carboximidamide;dihydrochloride

C5H13Cl2N3 — CID 75480708

IUPACpyrrolidine-2-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)C1CCCN1
InChIInChI=1S/C5H11N3.2ClH/c6-5(7)4-2-1-3-8-4;;/h4,8H,1-3H2,(H3,6,7);2*1H
InChIKeyRFJQXXLHUKKMEZ-UHFFFAOYSA-N
MW186.09 g/mol
LogP0.52
Rot. Bonds1

About pyrrolidine-2-carboximidamide;dihydrochloride

pyrrolidine-2-carboximidamide;dihydrochloride (PubChem CID 75480708) has the molecular formula C5H13Cl2N3 and a molecular weight of 186.09 g/mol. Its IUPAC name is pyrrolidine-2-carboximidamide;dihydrochloride.

Molecular Properties

Compound Namepyrrolidine-2-carboximidamide;dihydrochloride
PubChem CID75480708
Molecular FormulaC5H13Cl2N3
Molecular Weight186.09 g/mol
Exact Mass185.05
IUPAC Namepyrrolidine-2-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)C1CCCN1
InChIInChI=1S/C5H11N3.2ClH/c6-5(7)4-2-1-3-8-4;;/h4,8H,1-3H2,(H3,6,7);2*1H
InChIKeyRFJQXXLHUKKMEZ-UHFFFAOYSA-N
XLogP0.52
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.09
LogP ≤ 50.52
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 pyrrolidine-2-carboximidamide;dihydrochloride?
The IUPAC name of pyrrolidine-2-carboximidamide;dihydrochloride (CID 75480708) is pyrrolidine-2-carboximidamide;dihydrochloride.
What is the SMILES notation for pyrrolidine-2-carboximidamide;dihydrochloride?
The canonical SMILES for pyrrolidine-2-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)C1CCCN1.
What is the InChIKey of pyrrolidine-2-carboximidamide;dihydrochloride?
The InChIKey is RFJQXXLHUKKMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3.2ClH/c6-5(7)4-2-1-3-8-4;;/h4,8H,1-3H2,(H3,6,7);2*1H.
What are the key properties of pyrrolidine-2-carboximidamide;dihydrochloride?
pyrrolidine-2-carboximidamide;dihydrochloride has a molecular weight of 186.09 g/mol, XLogP of 0.52, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-2-carboximidamide;dihydrochloride is sourced from PubChem (CID 75480708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).