N-ethyl-N'-(2-hydroxy-2,3-diphenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide

C22H30IN3O — CID 111493091

IUPACN-ethyl-N'-(2-hydroxy-2,3-diphenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(O)(Cc1ccccc1)c1ccccc1)N1CCCC1.I
InChIInChI=1S/C22H29N3O.HI/c1-2-23-21(25-15-9-10-16-25)24-18-22(26,20-13-7-4-8-14-20)17-19-11-5-3-6-12-19;/h3-8,11-14,26H,2,9-10,15-18H2,1H3,(H,23,24);1H
InChIKeyRBPZFFJVHAEVGN-UHFFFAOYSA-N
MW479.41 g/mol
LogP3.80
Rot. Bonds6

About N-ethyl-N'-(2-hydroxy-2,3-diphenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide

N-ethyl-N'-(2-hydroxy-2,3-diphenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111493091) has the molecular formula C22H30IN3O and a molecular weight of 479.41 g/mol. Its IUPAC name is N-ethyl-N'-(2-hydroxy-2,3-diphenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-(2-hydroxy-2,3-diphenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111493091
Molecular FormulaC22H30IN3O
Molecular Weight479.41 g/mol
Exact Mass479.14
IUPAC NameN-ethyl-N'-(2-hydroxy-2,3-diphenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(O)(Cc1ccccc1)c1ccccc1)N1CCCC1.I
InChIInChI=1S/C22H29N3O.HI/c1-2-23-21(25-15-9-10-16-25)24-18-22(26,20-13-7-4-8-14-20)17-19-11-5-3-6-12-19;/h3-8,11-14,26H,2,9-10,15-18H2,1H3,(H,23,24);1H
InChIKeyRBPZFFJVHAEVGN-UHFFFAOYSA-N
XLogP3.80
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-hydroxy-2,3-diphenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-(2-hydroxy-2,3-diphenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 111493091) is N-ethyl-N'-(2-hydroxy-2,3-diphenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-(2-hydroxy-2,3-diphenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-(2-hydroxy-2,3-diphenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(O)(Cc1ccccc1)c1ccccc1)N1CCCC1.I.
What is the InChIKey of N-ethyl-N'-(2-hydroxy-2,3-diphenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is RBPZFFJVHAEVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O.HI/c1-2-23-21(25-15-9-10-16-25)24-18-22(26,20-13-7-4-8-14-20)17-19-11-5-3-6-12-19;/h3-8,11-14,26H,2,9-10,15-18H2,1H3,(H,23,24);1H.
What are the key properties of N-ethyl-N'-(2-hydroxy-2,3-diphenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
N-ethyl-N'-(2-hydroxy-2,3-diphenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 479.41 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-hydroxy-2,3-diphenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111493091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).