N'-benzyl-3-propan-2-ylpyrrolidine-1-carboximidamide

C15H23N3 — CID 130557165

IUPACN'-benzyl-3-propan-2-ylpyrrolidine-1-carboximidamide
SMILESCC(C)C1CCN(/C(N)=N/Cc2ccccc2)C1
InChIInChI=1S/C15H23N3/c1-12(2)14-8-9-18(11-14)15(16)17-10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H2,16,17)
InChIKeyLILUXMCPEMXMFV-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.48
Rot. Bonds3

About N'-benzyl-3-propan-2-ylpyrrolidine-1-carboximidamide

N'-benzyl-3-propan-2-ylpyrrolidine-1-carboximidamide (PubChem CID 130557165) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-benzyl-3-propan-2-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-benzyl-3-propan-2-ylpyrrolidine-1-carboximidamide
PubChem CID130557165
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN'-benzyl-3-propan-2-ylpyrrolidine-1-carboximidamide
SMILESCC(C)C1CCN(/C(N)=N/Cc2ccccc2)C1
InChIInChI=1S/C15H23N3/c1-12(2)14-8-9-18(11-14)15(16)17-10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H2,16,17)
InChIKeyLILUXMCPEMXMFV-UHFFFAOYSA-N
XLogP2.48
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.48
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'-benzyl-3-propan-2-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-benzyl-3-propan-2-ylpyrrolidine-1-carboximidamide (CID 130557165) is N'-benzyl-3-propan-2-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-benzyl-3-propan-2-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-benzyl-3-propan-2-ylpyrrolidine-1-carboximidamide is CC(C)C1CCN(/C(N)=N/Cc2ccccc2)C1.
What is the InChIKey of N'-benzyl-3-propan-2-ylpyrrolidine-1-carboximidamide?
The InChIKey is LILUXMCPEMXMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12(2)14-8-9-18(11-14)15(16)17-10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H2,16,17).
What are the key properties of N'-benzyl-3-propan-2-ylpyrrolidine-1-carboximidamide?
N'-benzyl-3-propan-2-ylpyrrolidine-1-carboximidamide has a molecular weight of 245.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-3-propan-2-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 130557165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).