N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide

C20H26IN3O — CID 111799879

IUPACN'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC(Cc1ccccc1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H25N3O.HI/c21-20(23-11-13-24-14-12-23)22-16-19(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17;/h1-10,19H,11-16H2,(H2,21,22);1H
InChIKeyKTPXLRCBMKRNRX-UHFFFAOYSA-N
MW451.35 g/mol
LogP3.28
Rot. Bonds5

About N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide

N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 111799879) has the molecular formula C20H26IN3O and a molecular weight of 451.35 g/mol. Its IUPAC name is N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide
PubChem CID111799879
Molecular FormulaC20H26IN3O
Molecular Weight451.35 g/mol
Exact Mass451.11
IUPAC NameN'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC(Cc1ccccc1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H25N3O.HI/c21-20(23-11-13-24-14-12-23)22-16-19(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17;/h1-10,19H,11-16H2,(H2,21,22);1H
InChIKeyKTPXLRCBMKRNRX-UHFFFAOYSA-N
XLogP3.28
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
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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Related Compounds

N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide
CID 111799880
N'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
CID 111799996
N'-[[4-(phenylmethoxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111053620
N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506
N'-[2-ethyl-2-(1-phenylethylamino)butyl]morpholine-4-carboximidamide;hydroiodide
CID 111810353
N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111031155
N'-[2-hydroxy-2-(4-methylphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111067391
N'-(2-phenylsulfanylethyl)morpholine-4-carboximidamide
CID 111033052
3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111060872
N'-(3-benzylsulfonylpropyl)morpholine-4-carboximidamide
CID 111065176
N'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 56801703
3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111099903

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide (CID 111799879) is N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CC(Cc1ccccc1)c1ccccc1)N1CCOCC1.
What is the InChIKey of N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide?
The InChIKey is KTPXLRCBMKRNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.HI/c21-20(23-11-13-24-14-12-23)22-16-19(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17;/h1-10,19H,11-16H2,(H2,21,22);1H.
What are the key properties of N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide?
N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 451.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111799879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).