3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]-N'-hydroxypropanimidamide

C15H25N3O — CID 55085218

IUPAC3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]-N'-hydroxypropanimidamide
SMILESCCN(CC/C(N)=N/O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C15H25N3O/c1-5-18(7-6-15(16)17-19)10-14-12(3)8-11(2)9-13(14)4/h8-9,19H,5-7,10H2,1-4H3,(H2,16,17)
InChIKeyNWYAOFMJPJOKTE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.57
Rot. Bonds6

About 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]-N'-hydroxypropanimidamide

3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]-N'-hydroxypropanimidamide (PubChem CID 55085218) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]-N'-hydroxypropanimidamide
PubChem CID55085218
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]-N'-hydroxypropanimidamide
SMILESCCN(CC/C(N)=N/O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C15H25N3O/c1-5-18(7-6-15(16)17-19)10-14-12(3)8-11(2)9-13(14)4/h8-9,19H,5-7,10H2,1-4H3,(H2,16,17)
InChIKeyNWYAOFMJPJOKTE-UHFFFAOYSA-N
XLogP2.57
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.57
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]-N'-hydroxypropanimidamide (CID 55085218) is 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]-N'-hydroxypropanimidamide is CCN(CC/C(N)=N/O)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]-N'-hydroxypropanimidamide?
The InChIKey is NWYAOFMJPJOKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-18(7-6-15(16)17-19)10-14-12(3)8-11(2)9-13(14)4/h8-9,19H,5-7,10H2,1-4H3,(H2,16,17).
What are the key properties of 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]-N'-hydroxypropanimidamide?
3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]-N'-hydroxypropanimidamide has a molecular weight of 263.38 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 55085218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).