N'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide

C15H25N3O — CID 77070479

IUPACN'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide
SMILESCN(CCc1ccccc1)CCC(C)(C)C(N)=NO
InChIInChI=1S/C15H25N3O/c1-15(2,14(16)17-19)10-12-18(3)11-9-13-7-5-4-6-8-13/h4-8,19H,9-12H2,1-3H3,(H2,16,17)
InChIKeyXHUITPPLIHTPKL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.32
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide

N'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide (PubChem CID 77070479) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide
PubChem CID77070479
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide
SMILESCN(CCc1ccccc1)CCC(C)(C)C(N)=NO
InChIInChI=1S/C15H25N3O/c1-15(2,14(16)17-19)10-12-18(3)11-9-13-7-5-4-6-8-13/h4-8,19H,9-12H2,1-3H3,(H2,16,17)
InChIKeyXHUITPPLIHTPKL-UHFFFAOYSA-N
XLogP2.32
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.32
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

2-methyl-4-[methyl(2-phenylethyl)amino]butan-2-ol
CID 79359532
N'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide
CID 77062131
4-[(2-bromophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062969
3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide
CID 77070473
N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide
CID 77063059
4-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062294
methyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate
CID 65485948
5-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063573
2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoic acid
CID 65487093
6-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710715
2-(ethylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butan-1-ol
CID 65486202
ethyl 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanoate
CID 65487091

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide (CID 77070479) is N'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide is CN(CCc1ccccc1)CCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide?
The InChIKey is XHUITPPLIHTPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,14(16)17-19)10-12-18(3)11-9-13-7-5-4-6-8-13/h4-8,19H,9-12H2,1-3H3,(H2,16,17).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide?
N'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide has a molecular weight of 263.38 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide is sourced from PubChem (CID 77070479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).