N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide

C19H30N4O2 — CID 109480572

IUPACN'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESC/N=C(\NCC1CN(C)CCO1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C19H30N4O2/c1-15-6-4-5-7-17(15)18-14-23(9-11-25-18)19(20-2)21-12-16-13-22(3)8-10-24-16/h4-7,16,18H,8-14H2,1-3H3,(H,20,21)
InChIKeyHORWRZFODUUKKX-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.27
Rot. Bonds3

About N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide

N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide (PubChem CID 109480572) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
PubChem CID109480572
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC NameN'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESC/N=C(\NCC1CN(C)CCO1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C19H30N4O2/c1-15-6-4-5-7-17(15)18-14-23(9-11-25-18)19(20-2)21-12-16-13-22(3)8-10-24-16/h4-7,16,18H,8-14H2,1-3H3,(H,20,21)
InChIKeyHORWRZFODUUKKX-UHFFFAOYSA-N
XLogP1.27
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.27
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'}

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Related Compounds

N'-methyl-2-(2-methylphenyl)-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 109481908
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-(3-fluoropropyl)-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481667
N'-methyl-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481283
N-ethyl-2-(2-methylphenyl)-N'-[(1-methylpiperidin-4-yl)methyl]morpholine-4-carboximidamide
CID 109481121
N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481277
N'-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480279
N-(2-methoxy-3,3-dimethylbutyl)-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109480491
N-[4-(diethylamino)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480236
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480348
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480520

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide?
The IUPAC name of N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide (CID 109480572) is N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide is C/N=C(\NCC1CN(C)CCO1)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide?
The InChIKey is HORWRZFODUUKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15-6-4-5-7-17(15)18-14-23(9-11-25-18)19(20-2)21-12-16-13-22(3)8-10-24-16/h4-7,16,18H,8-14H2,1-3H3,(H,20,21).
What are the key properties of N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide?
N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide has a molecular weight of 346.47 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide is sourced from PubChem (CID 109480572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).