N'-ethyl-N-(2-methylcyclopropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide

C18H28IN3O — CID 109480658

IUPACN'-ethyl-N-(2-methylcyclopropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
SMILESCC/N=C(/NC1CC1C)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C18H27N3O.HI/c1-4-19-18(20-16-11-14(16)3)21-9-10-22-17(12-21)15-8-6-5-7-13(15)2;/h5-8,14,16-17H,4,9-12H2,1-3H3,(H,19,20);1H
InChIKeyVBIIITRJYDDNDU-UHFFFAOYSA-N
MW429.35 g/mol
LogP3.36
Rot. Bonds3

About N'-ethyl-N-(2-methylcyclopropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide

N'-ethyl-N-(2-methylcyclopropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 109480658) has the molecular formula C18H28IN3O and a molecular weight of 429.35 g/mol. Its IUPAC name is N'-ethyl-N-(2-methylcyclopropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-ethyl-N-(2-methylcyclopropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
PubChem CID109480658
Molecular FormulaC18H28IN3O
Molecular Weight429.35 g/mol
Exact Mass429.13
IUPAC NameN'-ethyl-N-(2-methylcyclopropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
SMILESCC/N=C(/NC1CC1C)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C18H27N3O.HI/c1-4-19-18(20-16-11-14(16)3)21-9-10-22-17(12-21)15-8-6-5-7-13(15)2;/h5-8,14,16-17H,4,9-12H2,1-3H3,(H,19,20);1H
InChIKeyVBIIITRJYDDNDU-UHFFFAOYSA-N
XLogP3.36
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 53.36
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'-methyl-2-(2-methylphenyl)-N-prop-2-ynylmorpholine-4-carboximidamide;hydroiodide
CID 109479908
N-ethyl-2-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 109480595
N'-(2-ethoxyethyl)-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479664
2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide
CID 109480637
N-ethyl-N'-(3-hydroxy-2,2-dimethylpropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109480503
N'-methyl-N-(3-methylbutyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479895
N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111770663
N,N-dimethyl-2-[[[2-(2-methylphenyl)morpholin-4-yl]-(propylamino)methylidene]amino]acetamide
CID 110043665
N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479662
N-ethyl-2-(2-methylphenyl)-N'-[(1-methylpiperidin-4-yl)methyl]morpholine-4-carboximidamide
CID 109481121
N-ethyl-2-(2-methylphenyl)-N'-[2-(6-methyl-3-pyridinyl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109480481
N'-[2-(benzenesulfinyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479698

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(2-methylcyclopropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-ethyl-N-(2-methylcyclopropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide (CID 109480658) is N'-ethyl-N-(2-methylcyclopropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-ethyl-N-(2-methylcyclopropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-ethyl-N-(2-methylcyclopropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide is CC/N=C(/NC1CC1C)N1CCOC(c2ccccc2C)C1.I.
What is the InChIKey of N'-ethyl-N-(2-methylcyclopropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The InChIKey is VBIIITRJYDDNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.HI/c1-4-19-18(20-16-11-14(16)3)21-9-10-22-17(12-21)15-8-6-5-7-13(15)2;/h5-8,14,16-17H,4,9-12H2,1-3H3,(H,19,20);1H.
What are the key properties of N'-ethyl-N-(2-methylcyclopropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
N'-ethyl-N-(2-methylcyclopropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 429.35 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(2-methylcyclopropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109480658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).