N'-carbamimidoylpyrrolidine-1-carboximidamide;hydrochloride

C6H14ClN5 — CID 176527975

IUPACN'-carbamimidoylpyrrolidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(N)/N=C(\N)N1CCCC1
InChIInChI=1S/C6H13N5.ClH/c7-5(8)10-6(9)11-3-1-2-4-11;/h1-4H2,(H5,7,8,9,10);1H
InChIKeyKUJPSSUYOPFZNX-UHFFFAOYSA-N
MW191.67 g/mol
LogP-0.29
Rot. Bonds

About N'-carbamimidoylpyrrolidine-1-carboximidamide;hydrochloride

N'-carbamimidoylpyrrolidine-1-carboximidamide;hydrochloride (PubChem CID 176527975) has the molecular formula C6H14ClN5 and a molecular weight of 191.67 g/mol. Its IUPAC name is N'-carbamimidoylpyrrolidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-carbamimidoylpyrrolidine-1-carboximidamide;hydrochloride
PubChem CID176527975
Molecular FormulaC6H14ClN5
Molecular Weight191.67 g/mol
Exact Mass191.09
IUPAC NameN'-carbamimidoylpyrrolidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(N)/N=C(\N)N1CCCC1
InChIInChI=1S/C6H13N5.ClH/c7-5(8)10-6(9)11-3-1-2-4-11;/h1-4H2,(H5,7,8,9,10);1H
InChIKeyKUJPSSUYOPFZNX-UHFFFAOYSA-N
XLogP-0.29
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.67
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
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 N'-carbamimidoylpyrrolidine-1-carboximidamide;hydrochloride?
The IUPAC name of N'-carbamimidoylpyrrolidine-1-carboximidamide;hydrochloride (CID 176527975) is N'-carbamimidoylpyrrolidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-carbamimidoylpyrrolidine-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-carbamimidoylpyrrolidine-1-carboximidamide;hydrochloride is Cl.[H]/N=C(N)/N=C(\N)N1CCCC1.
What is the InChIKey of N'-carbamimidoylpyrrolidine-1-carboximidamide;hydrochloride?
The InChIKey is KUJPSSUYOPFZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5.ClH/c7-5(8)10-6(9)11-3-1-2-4-11;/h1-4H2,(H5,7,8,9,10);1H.
What are the key properties of N'-carbamimidoylpyrrolidine-1-carboximidamide;hydrochloride?
N'-carbamimidoylpyrrolidine-1-carboximidamide;hydrochloride has a molecular weight of 191.67 g/mol, XLogP of -0.29, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-carbamimidoylpyrrolidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 176527975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).