4-[(3-ethylmorpholin-4-yl)methyl]-3-methylbenzenecarboximidamide

C15H23N3O — CID 114483402

IUPAC4-[(3-ethylmorpholin-4-yl)methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCOCC2CC)c(C)c1
InChIInChI=1S/C15H23N3O/c1-3-14-10-19-7-6-18(14)9-13-5-4-12(15(16)17)8-11(13)2/h4-5,8,14H,3,6-7,9-10H2,1-2H3,(H3,16,17)
InChIKeyGBVIHMDMXOPYMI-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.89
Rot. Bonds4

About 4-[(3-ethylmorpholin-4-yl)methyl]-3-methylbenzenecarboximidamide

4-[(3-ethylmorpholin-4-yl)methyl]-3-methylbenzenecarboximidamide (PubChem CID 114483402) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[(3-ethylmorpholin-4-yl)methyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(3-ethylmorpholin-4-yl)methyl]-3-methylbenzenecarboximidamide
PubChem CID114483402
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[(3-ethylmorpholin-4-yl)methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCOCC2CC)c(C)c1
InChIInChI=1S/C15H23N3O/c1-3-14-10-19-7-6-18(14)9-13-5-4-12(15(16)17)8-11(13)2/h4-5,8,14H,3,6-7,9-10H2,1-2H3,(H3,16,17)
InChIKeyGBVIHMDMXOPYMI-UHFFFAOYSA-N
XLogP1.89
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
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

4-[[3-(hydroxymethyl)morpholin-4-yl]methyl]-3-methylbenzenecarbothioamide
CID 114482048
4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483551
4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483620
5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65338703
4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylbenzenecarboximidamide
CID 114483459
3-methyl-4-(oxetan-3-ylsulfanylmethyl)benzenecarboximidamide
CID 114484205
3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide
CID 114483792
4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 43613257
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-methylbenzenecarboximidamide
CID 114483448
3-bromo-4-[(3-ethylmorpholin-4-yl)methyl]aniline
CID 60790715
4-[(3,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483636
4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 103534175

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylmorpholin-4-yl)methyl]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[(3-ethylmorpholin-4-yl)methyl]-3-methylbenzenecarboximidamide (CID 114483402) is 4-[(3-ethylmorpholin-4-yl)methyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(3-ethylmorpholin-4-yl)methyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(3-ethylmorpholin-4-yl)methyl]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(CN2CCOCC2CC)c(C)c1.
What is the InChIKey of 4-[(3-ethylmorpholin-4-yl)methyl]-3-methylbenzenecarboximidamide?
The InChIKey is GBVIHMDMXOPYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-14-10-19-7-6-18(14)9-13-5-4-12(15(16)17)8-11(13)2/h4-5,8,14H,3,6-7,9-10H2,1-2H3,(H3,16,17).
What are the key properties of 4-[(3-ethylmorpholin-4-yl)methyl]-3-methylbenzenecarboximidamide?
4-[(3-ethylmorpholin-4-yl)methyl]-3-methylbenzenecarboximidamide has a molecular weight of 261.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylmorpholin-4-yl)methyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).