N,N'-diethylpropanimidamide;hydrochloride

C7H17ClN2 — CID 172818517

IUPACN,N'-diethylpropanimidamide;hydrochloride
SMILESCC/N=C(\CC)NCC.Cl
InChIInChI=1S/C7H16N2.ClH/c1-4-7(8-5-2)9-6-3;/h4-6H2,1-3H3,(H,8,9);1H
InChIKeyTXARDISIOAYHRT-UHFFFAOYSA-N
MW164.68 g/mol
LogP1.85
Rot. Bonds3

About N,N'-diethylpropanimidamide;hydrochloride

N,N'-diethylpropanimidamide;hydrochloride (PubChem CID 172818517) has the molecular formula C7H17ClN2 and a molecular weight of 164.68 g/mol. Its IUPAC name is N,N'-diethylpropanimidamide;hydrochloride.

Molecular Properties

Compound NameN,N'-diethylpropanimidamide;hydrochloride
PubChem CID172818517
Molecular FormulaC7H17ClN2
Molecular Weight164.68 g/mol
Exact Mass164.11
IUPAC NameN,N'-diethylpropanimidamide;hydrochloride
SMILESCC/N=C(\CC)NCC.Cl
InChIInChI=1S/C7H16N2.ClH/c1-4-7(8-5-2)9-6-3;/h4-6H2,1-3H3,(H,8,9);1H
InChIKeyTXARDISIOAYHRT-UHFFFAOYSA-N
XLogP1.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.68
LogP ≤ 51.85
H-Bond Donors ≤ 51
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,N'-diethylpropanimidamide;hydrochloride?
The IUPAC name of N,N'-diethylpropanimidamide;hydrochloride (CID 172818517) is N,N'-diethylpropanimidamide;hydrochloride.
What is the SMILES notation for N,N'-diethylpropanimidamide;hydrochloride?
The canonical SMILES for N,N'-diethylpropanimidamide;hydrochloride is CC/N=C(\CC)NCC.Cl.
What is the InChIKey of N,N'-diethylpropanimidamide;hydrochloride?
The InChIKey is TXARDISIOAYHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.ClH/c1-4-7(8-5-2)9-6-3;/h4-6H2,1-3H3,(H,8,9);1H.
What are the key properties of N,N'-diethylpropanimidamide;hydrochloride?
N,N'-diethylpropanimidamide;hydrochloride has a molecular weight of 164.68 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethylpropanimidamide;hydrochloride is sourced from PubChem (CID 172818517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).