4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide

C14H21N3O2 — CID 43613257

IUPAC4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCC1COCCN1Cc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C14H21N3O2/c1-2-13-10-19-8-7-17(13)9-11-3-5-12(6-4-11)14(15)16-18/h3-6,13,18H,2,7-10H2,1H3,(H2,15,16)
InChIKeyDMJXFBIDUUHMPA-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.39
Rot. Bonds4

About 4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide

4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 43613257) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID43613257
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCC1COCCN1Cc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C14H21N3O2/c1-2-13-10-19-8-7-17(13)9-11-3-5-12(6-4-11)14(15)16-18/h3-6,13,18H,2,7-10H2,1H3,(H2,15,16)
InChIKeyDMJXFBIDUUHMPA-UHFFFAOYSA-N
XLogP1.39
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-N-methylethanamine
CID 105347112
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76975847
4-(3-ethylmorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658211
N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 61406545
4-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethylmorpholine
CID 103998079
3-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]prop-2-enoic acid
CID 76909426
3-[(3-ethylmorpholin-4-yl)methyl]aniline
CID 43611627
5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65338703
4-[(3-ethylmorpholin-4-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483402
3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43613610
5-[(3-ethylmorpholin-4-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295011

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide (CID 43613257) is 4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide is CCC1COCCN1Cc1ccc(/C(N)=N/O)cc1.
What is the InChIKey of 4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is DMJXFBIDUUHMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-13-10-19-8-7-17(13)9-11-3-5-12(6-4-11)14(15)16-18/h3-6,13,18H,2,7-10H2,1H3,(H2,15,16).
What are the key properties of 4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide?
4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43613257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).