3-hydroxy-N-[1-[2-methoxyethyl(methyl)amino]ethylidene]-N'-methylbenzenecarboximidamide

C14H21N3O2 — CID 123922710

IUPAC3-hydroxy-N-[1-[2-methoxyethyl(methyl)amino]ethylidene]-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N=C(/C)N(C)CCOC)c1cccc(O)c1
InChIInChI=1S/C14H21N3O2/c1-11(17(3)8-9-19-4)16-14(15-2)12-6-5-7-13(18)10-12/h5-7,10,18H,8-9H2,1-4H3/b15-14-,16-11+
InChIKeyBCJSZLMAGDQZOC-GOFDYRPSSA-N
MW263.34 g/mol
LogP1.77
Rot. Bonds4

About 3-hydroxy-N-[1-[2-methoxyethyl(methyl)amino]ethylidene]-N'-methylbenzenecarboximidamide

3-hydroxy-N-[1-[2-methoxyethyl(methyl)amino]ethylidene]-N'-methylbenzenecarboximidamide (PubChem CID 123922710) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-hydroxy-N-[1-[2-methoxyethyl(methyl)amino]ethylidene]-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-[2-methoxyethyl(methyl)amino]ethylidene]-N'-methylbenzenecarboximidamide
PubChem CID123922710
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-hydroxy-N-[1-[2-methoxyethyl(methyl)amino]ethylidene]-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N=C(/C)N(C)CCOC)c1cccc(O)c1
InChIInChI=1S/C14H21N3O2/c1-11(17(3)8-9-19-4)16-14(15-2)12-6-5-7-13(18)10-12/h5-7,10,18H,8-9H2,1-4H3/b15-14-,16-11+
InChIKeyBCJSZLMAGDQZOC-GOFDYRPSSA-N
XLogP1.77
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.77
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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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-[2-methoxyethyl(methyl)amino]ethylidene]-N'-methylbenzenecarboximidamide?
The IUPAC name of 3-hydroxy-N-[1-[2-methoxyethyl(methyl)amino]ethylidene]-N'-methylbenzenecarboximidamide (CID 123922710) is 3-hydroxy-N-[1-[2-methoxyethyl(methyl)amino]ethylidene]-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 3-hydroxy-N-[1-[2-methoxyethyl(methyl)amino]ethylidene]-N'-methylbenzenecarboximidamide?
The canonical SMILES for 3-hydroxy-N-[1-[2-methoxyethyl(methyl)amino]ethylidene]-N'-methylbenzenecarboximidamide is C/N=C(\N=C(/C)N(C)CCOC)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-[1-[2-methoxyethyl(methyl)amino]ethylidene]-N'-methylbenzenecarboximidamide?
The InChIKey is BCJSZLMAGDQZOC-GOFDYRPSSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(17(3)8-9-19-4)16-14(15-2)12-6-5-7-13(18)10-12/h5-7,10,18H,8-9H2,1-4H3/b15-14-,16-11+.
What are the key properties of 3-hydroxy-N-[1-[2-methoxyethyl(methyl)amino]ethylidene]-N'-methylbenzenecarboximidamide?
3-hydroxy-N-[1-[2-methoxyethyl(methyl)amino]ethylidene]-N'-methylbenzenecarboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-[2-methoxyethyl(methyl)amino]ethylidene]-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 123922710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).