3-[(4-tert-butylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide

C15H25N3O — CID 43186214

IUPAC3-[(4-tert-butylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide
SMILESCN(CC/C(N)=N/O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-15(2,3)13-7-5-12(6-8-13)11-18(4)10-9-14(16)17-19/h5-8,19H,9-11H2,1-4H3,(H2,16,17)
InChIKeyBSPPZYJRYICEJK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.55
Rot. Bonds5

About 3-[(4-tert-butylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide

3-[(4-tert-butylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide (PubChem CID 43186214) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide
PubChem CID43186214
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[(4-tert-butylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide
SMILESCN(CC/C(N)=N/O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-15(2,3)13-7-5-12(6-8-13)11-18(4)10-9-14(16)17-19/h5-8,19H,9-11H2,1-4H3,(H2,16,17)
InChIKeyBSPPZYJRYICEJK-UHFFFAOYSA-N
XLogP2.55
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.55
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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Related Compounds

3-[(3,4-dimethylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 54977733
4-[(4-bromophenyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 61415732
N'-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]butanimidamide
CID 61420527
2-bromo-N-[(4-tert-butylphenyl)methyl]-N-methylethanamine
CID 80674852
N'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide
CID 43209669
N'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide
CID 115191922
3-[(4-fluorophenyl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917283
N'-hydroxy-3-[methyl(quinolin-2-ylmethyl)amino]propanimidamide
CID 43209629
3-[(4-ethylphenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 76929898
3-[(4-tert-butylphenyl)methyl-methylamino]-2-methylpropanethioamide
CID 54992271
methyl 2-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl-methylamino]acetate
CID 126761416
methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate
CID 60670466

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(4-tert-butylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide (CID 43186214) is 3-[(4-tert-butylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(4-tert-butylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(4-tert-butylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide is CN(CC/C(N)=N/O)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide?
The InChIKey is BSPPZYJRYICEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,3)13-7-5-12(6-8-13)11-18(4)10-9-14(16)17-19/h5-8,19H,9-11H2,1-4H3,(H2,16,17).
What are the key properties of 3-[(4-tert-butylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide?
3-[(4-tert-butylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide has a molecular weight of 263.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 43186214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).