4-(2-methoxyethyl)-N,N,N'-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide

C18H32N4O — CID 159594077

IUPAC4-(2-methoxyethyl)-N,N,N'-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide
SMILESC/N=C(/c1ccc(CCOC)cc1)N(C)C.C/N=C(\C)N(C)C
InChIInChI=1S/C13H20N2O.C5H12N2/c1-14-13(15(2)3)12-7-5-11(6-8-12)9-10-16-4;1-5(6-2)7(3)4/h5-8H,9-10H2,1-4H3;1-4H3/b14-13-;6-5+
InChIKeyMKPMNWIKOCYDBI-MISIYQDASA-N
MW320.48 g/mol
LogP2.41
Rot. Bonds4

About 4-(2-methoxyethyl)-N,N,N'-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide

4-(2-methoxyethyl)-N,N,N'-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide (PubChem CID 159594077) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-N,N,N'-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide.

Molecular Properties

Compound Name4-(2-methoxyethyl)-N,N,N'-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide
PubChem CID159594077
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name4-(2-methoxyethyl)-N,N,N'-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide
SMILESC/N=C(/c1ccc(CCOC)cc1)N(C)C.C/N=C(\C)N(C)C
InChIInChI=1S/C13H20N2O.C5H12N2/c1-14-13(15(2)3)12-7-5-11(6-8-12)9-10-16-4;1-5(6-2)7(3)4/h5-8H,9-10H2,1-4H3;1-4H3/b14-13-;6-5+
InChIKeyMKPMNWIKOCYDBI-MISIYQDASA-N
XLogP2.41
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.41
H-Bond Donors ≤ 50
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-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate
CID 58090360
1,2-difluoro-4-(2-methoxyethyl)benzene
CID 18372069
methyl 4-[2-[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]ethyl]benzoate
CID 110942174
2-methoxyethylbenzene
CID 19089
1-tert-butyl-4-(2-methoxyethyl)benzene
CID 67201808
1-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110976119
4-[[[N-[[4-(2-methoxyethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111873230
1-[2-(4-fluorophenyl)ethyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111228804
[4-[4-(2-methoxyethyl)benzoyl]oxycyclohexyl] 4-(2-methoxyethyl)benzoate
CID 58090335
4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide
CID 61040721
N-[4-[2-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]ethyl]phenyl]acetamide
CID 111653524
methyl 4-[2-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzoate;hydroiodide
CID 111650355

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-N,N,N'-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide?
The IUPAC name of 4-(2-methoxyethyl)-N,N,N'-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide (CID 159594077) is 4-(2-methoxyethyl)-N,N,N'-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide.
What is the SMILES notation for 4-(2-methoxyethyl)-N,N,N'-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide?
The canonical SMILES for 4-(2-methoxyethyl)-N,N,N'-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide is C/N=C(/c1ccc(CCOC)cc1)N(C)C.C/N=C(\C)N(C)C.
What is the InChIKey of 4-(2-methoxyethyl)-N,N,N'-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide?
The InChIKey is MKPMNWIKOCYDBI-MISIYQDASA-N. The full InChI is InChI=1S/C13H20N2O.C5H12N2/c1-14-13(15(2)3)12-7-5-11(6-8-12)9-10-16-4;1-5(6-2)7(3)4/h5-8H,9-10H2,1-4H3;1-4H3/b14-13-;6-5+.
What are the key properties of 4-(2-methoxyethyl)-N,N,N'-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide?
4-(2-methoxyethyl)-N,N,N'-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide has a molecular weight of 320.48 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-N,N,N'-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide is sourced from PubChem (CID 159594077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).