N',2-diethylpyrrolidine-1-carboximidamide

C9H19N3 — CID 62364536

IUPACN',2-diethylpyrrolidine-1-carboximidamide
SMILESCC/N=C(\N)N1CCCC1CC
InChIInChI=1S/C9H19N3/c1-3-8-6-5-7-12(8)9(10)11-4-2/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyZBOKLSUOTVPPPM-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.20
Rot. Bonds2

About N',2-diethylpyrrolidine-1-carboximidamide

N',2-diethylpyrrolidine-1-carboximidamide (PubChem CID 62364536) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N',2-diethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN',2-diethylpyrrolidine-1-carboximidamide
PubChem CID62364536
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN',2-diethylpyrrolidine-1-carboximidamide
SMILESCC/N=C(\N)N1CCCC1CC
InChIInChI=1S/C9H19N3/c1-3-8-6-5-7-12(8)9(10)11-4-2/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyZBOKLSUOTVPPPM-UHFFFAOYSA-N
XLogP1.20
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.20
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',2-diethylpyrrolidine-1-carboximidamide?
The IUPAC name of N',2-diethylpyrrolidine-1-carboximidamide (CID 62364536) is N',2-diethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N',2-diethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N',2-diethylpyrrolidine-1-carboximidamide is CC/N=C(\N)N1CCCC1CC.
What is the InChIKey of N',2-diethylpyrrolidine-1-carboximidamide?
The InChIKey is ZBOKLSUOTVPPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-3-8-6-5-7-12(8)9(10)11-4-2/h8H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of N',2-diethylpyrrolidine-1-carboximidamide?
N',2-diethylpyrrolidine-1-carboximidamide has a molecular weight of 169.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-diethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 62364536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).