N-amino-N'-ethylpyrrolidine-1-carboximidamide;hydrochloride

C7H17ClN4 — CID 55281451

IUPACN-amino-N'-ethylpyrrolidine-1-carboximidamide;hydrochloride
SMILESCC/N=C(\NN)N1CCCC1.Cl
InChIInChI=1S/C7H16N4.ClH/c1-2-9-7(10-8)11-5-3-4-6-11;/h2-6,8H2,1H3,(H,9,10);1H
InChIKeyPZPFRUZRHFSNKV-UHFFFAOYSA-N
MW192.69 g/mol
LogP0.34
Rot. Bonds1

About N-amino-N'-ethylpyrrolidine-1-carboximidamide;hydrochloride

N-amino-N'-ethylpyrrolidine-1-carboximidamide;hydrochloride (PubChem CID 55281451) has the molecular formula C7H17ClN4 and a molecular weight of 192.69 g/mol. Its IUPAC name is N-amino-N'-ethylpyrrolidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN-amino-N'-ethylpyrrolidine-1-carboximidamide;hydrochloride
PubChem CID55281451
Molecular FormulaC7H17ClN4
Molecular Weight192.69 g/mol
Exact Mass192.11
IUPAC NameN-amino-N'-ethylpyrrolidine-1-carboximidamide;hydrochloride
SMILESCC/N=C(\NN)N1CCCC1.Cl
InChIInChI=1S/C7H16N4.ClH/c1-2-9-7(10-8)11-5-3-4-6-11;/h2-6,8H2,1H3,(H,9,10);1H
InChIKeyPZPFRUZRHFSNKV-UHFFFAOYSA-N
XLogP0.34
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-ethylpyrrolidine-1-carboximidamide;hydrochloride?
The IUPAC name of N-amino-N'-ethylpyrrolidine-1-carboximidamide;hydrochloride (CID 55281451) is N-amino-N'-ethylpyrrolidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N-amino-N'-ethylpyrrolidine-1-carboximidamide;hydrochloride?
The canonical SMILES for N-amino-N'-ethylpyrrolidine-1-carboximidamide;hydrochloride is CC/N=C(\NN)N1CCCC1.Cl.
What is the InChIKey of N-amino-N'-ethylpyrrolidine-1-carboximidamide;hydrochloride?
The InChIKey is PZPFRUZRHFSNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4.ClH/c1-2-9-7(10-8)11-5-3-4-6-11;/h2-6,8H2,1H3,(H,9,10);1H.
What are the key properties of N-amino-N'-ethylpyrrolidine-1-carboximidamide;hydrochloride?
N-amino-N'-ethylpyrrolidine-1-carboximidamide;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-ethylpyrrolidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 55281451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).