N'-hydroxy-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanimidamide

C14H23N3O — CID 76946355

IUPACN'-hydroxy-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanimidamide
SMILESCc1cc(C)c(CN(C)C(C)C(N)=NO)c(C)c1
InChIInChI=1S/C14H23N3O/c1-9-6-10(2)13(11(3)7-9)8-17(5)12(4)14(15)16-18/h6-7,12,18H,8H2,1-5H3,(H2,15,16)
InChIKeyDKTCDYCVIWQEBS-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.18
Rot. Bonds4

About N'-hydroxy-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanimidamide

N'-hydroxy-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanimidamide (PubChem CID 76946355) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanimidamide
PubChem CID76946355
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN'-hydroxy-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanimidamide
SMILESCc1cc(C)c(CN(C)C(C)C(N)=NO)c(C)c1
InChIInChI=1S/C14H23N3O/c1-9-6-10(2)13(11(3)7-9)8-17(5)12(4)14(15)16-18/h6-7,12,18H,8H2,1-5H3,(H2,15,16)
InChIKeyDKTCDYCVIWQEBS-UHFFFAOYSA-N
XLogP2.18
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.18
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 N'-hydroxy-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanimidamide (CID 76946355) is N'-hydroxy-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanimidamide is Cc1cc(C)c(CN(C)C(C)C(N)=NO)c(C)c1.
What is the InChIKey of N'-hydroxy-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanimidamide?
The InChIKey is DKTCDYCVIWQEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9-6-10(2)13(11(3)7-9)8-17(5)12(4)14(15)16-18/h6-7,12,18H,8H2,1-5H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanimidamide?
N'-hydroxy-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanimidamide has a molecular weight of 249.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanimidamide is sourced from PubChem (CID 76946355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).