N-benzyl-1-phenyl-1-pyrrolidin-1-ylmethanimine

C18H20N2 — CID 102375712

IUPACN-benzyl-1-phenyl-1-pyrrolidin-1-ylmethanimine
SMILESc1ccc(C/N=C(/c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C18H20N2/c1-3-9-16(10-4-1)15-19-18(20-13-7-8-14-20)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2/b19-18-
InChIKeyJPYRZZYOJGAENI-HNENSFHCSA-N
MW264.37 g/mol
LogP3.73
Rot. Bonds3

About N-benzyl-1-phenyl-1-pyrrolidin-1-ylmethanimine

N-benzyl-1-phenyl-1-pyrrolidin-1-ylmethanimine (PubChem CID 102375712) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-benzyl-1-phenyl-1-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound NameN-benzyl-1-phenyl-1-pyrrolidin-1-ylmethanimine
PubChem CID102375712
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC NameN-benzyl-1-phenyl-1-pyrrolidin-1-ylmethanimine
SMILESc1ccc(C/N=C(/c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C18H20N2/c1-3-9-16(10-4-1)15-19-18(20-13-7-8-14-20)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2/b19-18-
InChIKeyJPYRZZYOJGAENI-HNENSFHCSA-N
XLogP3.73
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
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

(NE)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine
CID 15190945
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
N'-benzyl-N-(diaminomethylidene)azepane-1-carboximidamide
CID 71515196
N'-benzyl-N-(2-chlorophenyl)pyrrolidine-1-carboximidamide
CID 101489117
2-benzyl-1,1-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111040318
phenyl N-benzylbenzenecarboximidate
CID 4210228
phenyl(pyrrolidin-1-yl)methaneselone
CID 11149100
1-(1-phenylmethoxyethenyl)pyrrolidine
CID 142875248
2-benzyl-1,1-dimethyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 111031866
(NE)-4-fluoro-N-[phenyl(pyrrolidin-1-yl)methylidene]benzenesulfonamide
CID 6359531
benzyl piperidine-1-carboxylate
CID 158057698
1-(azepan-1-yl)-2-phenylethanethione
CID 19832475

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenyl-1-pyrrolidin-1-ylmethanimine?
The IUPAC name of N-benzyl-1-phenyl-1-pyrrolidin-1-ylmethanimine (CID 102375712) is N-benzyl-1-phenyl-1-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for N-benzyl-1-phenyl-1-pyrrolidin-1-ylmethanimine?
The canonical SMILES for N-benzyl-1-phenyl-1-pyrrolidin-1-ylmethanimine is c1ccc(C/N=C(/c2ccccc2)N2CCCC2)cc1.
What is the InChIKey of N-benzyl-1-phenyl-1-pyrrolidin-1-ylmethanimine?
The InChIKey is JPYRZZYOJGAENI-HNENSFHCSA-N. The full InChI is InChI=1S/C18H20N2/c1-3-9-16(10-4-1)15-19-18(20-13-7-8-14-20)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2/b19-18-.
What are the key properties of N-benzyl-1-phenyl-1-pyrrolidin-1-ylmethanimine?
N-benzyl-1-phenyl-1-pyrrolidin-1-ylmethanimine has a molecular weight of 264.37 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenyl-1-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 102375712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).