N'-[(4-methylmorpholin-2-yl)methyl]benzenecarboximidamide

C13H19N3O — CID 78932017

IUPACN'-[(4-methylmorpholin-2-yl)methyl]benzenecarboximidamide
SMILESCN1CCOC(C/N=C(\N)c2ccccc2)C1
InChIInChI=1S/C13H19N3O/c1-16-7-8-17-12(10-16)9-15-13(14)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H2,14,15)
InChIKeySCUVSTJYULKSKJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.72
Rot. Bonds3

About N'-[(4-methylmorpholin-2-yl)methyl]benzenecarboximidamide

N'-[(4-methylmorpholin-2-yl)methyl]benzenecarboximidamide (PubChem CID 78932017) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N'-[(4-methylmorpholin-2-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(4-methylmorpholin-2-yl)methyl]benzenecarboximidamide
PubChem CID78932017
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN'-[(4-methylmorpholin-2-yl)methyl]benzenecarboximidamide
SMILESCN1CCOC(C/N=C(\N)c2ccccc2)C1
InChIInChI=1S/C13H19N3O/c1-16-7-8-17-12(10-16)9-15-13(14)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H2,14,15)
InChIKeySCUVSTJYULKSKJ-UHFFFAOYSA-N
XLogP0.72
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.72
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'}

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Related Compounds

N'-[(4-methylmorpholin-2-yl)methyl]ethanimidamide
CID 78932018
1-amino-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 79071224
2-[(4-methylmorpholin-2-yl)methyl]-1-propan-2-ylguanidine
CID 78931999
N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2-carboximidamide
CID 114654656
1-(3,4-dimethoxyphenyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 111091298
3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide
CID 95329722
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenecarboximidamide
CID 63176117
3-[methyl-[(4-methylmorpholin-2-yl)methyl]amino]benzenecarboximidamide
CID 79171067
1-(3,4-dimethoxyphenyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 111091297
3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide
CID 111091304
2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine
CID 110927714
N-ethyl-N'-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110946924

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methylmorpholin-2-yl)methyl]benzenecarboximidamide?
The IUPAC name of N'-[(4-methylmorpholin-2-yl)methyl]benzenecarboximidamide (CID 78932017) is N'-[(4-methylmorpholin-2-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-[(4-methylmorpholin-2-yl)methyl]benzenecarboximidamide?
The canonical SMILES for N'-[(4-methylmorpholin-2-yl)methyl]benzenecarboximidamide is CN1CCOC(C/N=C(\N)c2ccccc2)C1.
What is the InChIKey of N'-[(4-methylmorpholin-2-yl)methyl]benzenecarboximidamide?
The InChIKey is SCUVSTJYULKSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16-7-8-17-12(10-16)9-15-13(14)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H2,14,15).
What are the key properties of N'-[(4-methylmorpholin-2-yl)methyl]benzenecarboximidamide?
N'-[(4-methylmorpholin-2-yl)methyl]benzenecarboximidamide has a molecular weight of 233.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methylmorpholin-2-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 78932017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).