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

C22H36IN3O2 — CID 109481059

IUPACN-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1(CCOC)CCC1)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C22H35N3O2.HI/c1-4-23-21(24-17-22(10-7-11-22)12-14-26-3)25-13-15-27-20(16-25)19-9-6-5-8-18(19)2;/h5-6,8-9,20H,4,7,10-17H2,1-3H3,(H,23,24);1H
InChIKeyKTNMQXWIMVIDNS-UHFFFAOYSA-N
MW501.45 g/mol
LogP4.16
Rot. Bonds7

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

N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 109481059) has the molecular formula C22H36IN3O2 and a molecular weight of 501.45 g/mol. Its IUPAC name is N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
PubChem CID109481059
Molecular FormulaC22H36IN3O2
Molecular Weight501.45 g/mol
Exact Mass501.19
IUPAC NameN-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1(CCOC)CCC1)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C22H35N3O2.HI/c1-4-23-21(24-17-22(10-7-11-22)12-14-26-3)25-13-15-27-20(16-25)19-9-6-5-8-18(19)2;/h5-6,8-9,20H,4,7,10-17H2,1-3H3,(H,23,24);1H
InChIKeyKTNMQXWIMVIDNS-UHFFFAOYSA-N
XLogP4.16
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.45
LogP ≤ 54.16
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
CID 109481060
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481410
N-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109479835
N-ethyl-N'-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481057
N'-(2-ethoxyethyl)-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479664
1-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 109481865
N-ethyl-N'-(3-hydroxy-2,2-dimethylpropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109480503
N-ethyl-2-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 109480595
N-ethyl-N'-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480370
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'-[(3-morpholin-4-ylthiolan-3-yl)methyl]morpholine-4-carboximidamide
CID 109479787
N-ethyl-2-(2-methylphenyl)-N'-[(1-methylpiperidin-4-yl)methyl]morpholine-4-carboximidamide
CID 109481121

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide (CID 109481059) is N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide is CCN/C(=N\CC1(CCOC)CCC1)N1CCOC(c2ccccc2C)C1.I.
What is the InChIKey of N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The InChIKey is KTNMQXWIMVIDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2.HI/c1-4-23-21(24-17-22(10-7-11-22)12-14-26-3)25-13-15-27-20(16-25)19-9-6-5-8-18(19)2;/h5-6,8-9,20H,4,7,10-17H2,1-3H3,(H,23,24);1H.
What are the key properties of N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 501.45 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109481059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).