N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide

C22H32IN5O — CID 109479444

IUPACN'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1ccnc(N(C)C)c1)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C22H31N5O.HI/c1-5-23-22(25-15-18-10-11-24-21(14-18)26(3)4)27-12-13-28-20(16-27)19-9-7-6-8-17(19)2;/h6-11,14,20H,5,12-13,15-16H2,1-4H3,(H,23,25);1H
InChIKeyBQHFTODABFLXDK-UHFFFAOYSA-N
MW509.44 g/mol
LogP3.61
Rot. Bonds5

About N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide

N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 109479444) has the molecular formula C22H32IN5O and a molecular weight of 509.44 g/mol. Its IUPAC name is N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
PubChem CID109479444
Molecular FormulaC22H32IN5O
Molecular Weight509.44 g/mol
Exact Mass509.17
IUPAC NameN'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1ccnc(N(C)C)c1)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C22H31N5O.HI/c1-5-23-22(25-15-18-10-11-24-21(14-18)26(3)4)27-12-13-28-20(16-27)19-9-7-6-8-17(19)2;/h6-11,14,20H,5,12-13,15-16H2,1-4H3,(H,23,25);1H
InChIKeyBQHFTODABFLXDK-UHFFFAOYSA-N
XLogP3.61
TPSA52.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-N'-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481703
N-[3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 109481556
N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479442
3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide
CID 109481109
N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479780
N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479662
N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109479443
N-ethyl-2-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 109480595
N-ethyl-2-(2-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 109480415
N-ethyl-N'-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481185
N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 110955351
N-ethyl-N'-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480432

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide (CID 109479444) is N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide is CCN/C(=N\Cc1ccnc(N(C)C)c1)N1CCOC(c2ccccc2C)C1.I.
What is the InChIKey of N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The InChIKey is BQHFTODABFLXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O.HI/c1-5-23-22(25-15-18-10-11-24-21(14-18)26(3)4)27-12-13-28-20(16-27)19-9-7-6-8-17(19)2;/h6-11,14,20H,5,12-13,15-16H2,1-4H3,(H,23,25);1H.
What are the key properties of N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 509.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109479444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).