N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide

C20H32IN3O2 — CID 109481410

IUPACN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1(CCOC)CC1)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C20H31N3O2.HI/c1-16-6-4-5-7-17(16)18-14-23(11-13-25-18)19(21-2)22-15-20(8-9-20)10-12-24-3;/h4-7,18H,8-15H2,1-3H3,(H,21,22);1H
InChIKeyLMKZQSSGRLEQGO-UHFFFAOYSA-N
MW473.40 g/mol
LogP3.38
Rot. Bonds6

About N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 109481410) has the molecular formula C20H32IN3O2 and a molecular weight of 473.40 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
PubChem CID109481410
Molecular FormulaC20H32IN3O2
Molecular Weight473.40 g/mol
Exact Mass473.15
IUPAC NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1(CCOC)CC1)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C20H31N3O2.HI/c1-16-6-4-5-7-17(16)18-14-23(11-13-25-18)19(21-2)22-15-20(8-9-20)10-12-24-3;/h4-7,18H,8-15H2,1-3H3,(H,21,22);1H
InChIKeyLMKZQSSGRLEQGO-UHFFFAOYSA-N
XLogP3.38
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481059
N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481060
N'-methyl-2-(2-methylphenyl)-N-prop-2-ynylmorpholine-4-carboximidamide;hydroiodide
CID 109479908
N'-methyl-N-(3-methylbutyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479895
N-[2-(2-butoxyethoxy)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480418
N-(2-methoxy-3,3-dimethylbutyl)-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109480491
N-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109479835
N-[[3-(methoxymethyl)phenyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480848
N-(3-fluoropropyl)-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481667
N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480916
N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480572
3-methoxy-N-[2-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]ethyl]benzamide;hydroiodide
CID 109480994

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide (CID 109481410) is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide is C/N=C(\NCC1(CCOC)CC1)N1CCOC(c2ccccc2C)C1.I.
What is the InChIKey of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The InChIKey is LMKZQSSGRLEQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.HI/c1-16-6-4-5-7-17(16)18-14-23(11-13-25-18)19(21-2)22-15-20(8-9-20)10-12-24-3;/h4-7,18H,8-15H2,1-3H3,(H,21,22);1H.
What are the key properties of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 473.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109481410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).