N'-benzyl-N-phenylpyrrolidine-1-carboximidamide

C18H21N3 — CID 12889972

IUPACN'-benzyl-N-phenylpyrrolidine-1-carboximidamide
SMILESc1ccc(C/N=C(/Nc2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C18H21N3/c1-3-9-16(10-4-1)15-19-18(21-13-7-8-14-21)20-17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2,(H,19,20)
InChIKeyWJEWQECFHDBWHJ-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.75
Rot. Bonds3

About N'-benzyl-N-phenylpyrrolidine-1-carboximidamide

N'-benzyl-N-phenylpyrrolidine-1-carboximidamide (PubChem CID 12889972) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N'-benzyl-N-phenylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-benzyl-N-phenylpyrrolidine-1-carboximidamide
PubChem CID12889972
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN'-benzyl-N-phenylpyrrolidine-1-carboximidamide
SMILESc1ccc(C/N=C(/Nc2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C18H21N3/c1-3-9-16(10-4-1)15-19-18(21-13-7-8-14-21)20-17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2,(H,19,20)
InChIKeyWJEWQECFHDBWHJ-UHFFFAOYSA-N
XLogP3.75
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.75
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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Related Compounds

N'-[[4-(methylsulfamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboximidamide
CID 111046434
N'-benzyl-N-(2-chlorophenyl)pyrrolidine-1-carboximidamide
CID 101489117
N-phenyl-N'-[(3,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111033624
N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-N-phenylpiperidine-1-carboximidamide
CID 111052747
N-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide
CID 119119501
N-phenyl-N'-(pyridazin-3-ylmethyl)piperidine-1-carboximidamide
CID 120580522
3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide
CID 111071160
N'-[2-(dimethylamino)-2-methylpropyl]-N-phenylpiperidine-1-carboximidamide
CID 111028734
N'-[(2,5-dimethylpyrazol-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide
CID 120913464
N-phenyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 119119590
N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide
CID 111089079
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 111057213

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-phenylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-benzyl-N-phenylpyrrolidine-1-carboximidamide (CID 12889972) is N'-benzyl-N-phenylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-benzyl-N-phenylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-benzyl-N-phenylpyrrolidine-1-carboximidamide is c1ccc(C/N=C(/Nc2ccccc2)N2CCCC2)cc1.
What is the InChIKey of N'-benzyl-N-phenylpyrrolidine-1-carboximidamide?
The InChIKey is WJEWQECFHDBWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-3-9-16(10-4-1)15-19-18(21-13-7-8-14-21)20-17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2,(H,19,20).
What are the key properties of N'-benzyl-N-phenylpyrrolidine-1-carboximidamide?
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide has a molecular weight of 279.39 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-phenylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 12889972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).