N'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide

C14H23N3O — CID 77062131

IUPACN'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide
SMILESCC(C)(CCNCCc1ccccc1)C(N)=NO
InChIInChI=1S/C14H23N3O/c1-14(2,13(15)17-18)9-11-16-10-8-12-6-4-3-5-7-12/h3-7,16,18H,8-11H2,1-2H3,(H2,15,17)
InChIKeyXAFCSPNCOUUWCA-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.98
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide

N'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide (PubChem CID 77062131) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide
PubChem CID77062131
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide
SMILESCC(C)(CCNCCc1ccccc1)C(N)=NO
InChIInChI=1S/C14H23N3O/c1-14(2,13(15)17-18)9-11-16-10-8-12-6-4-3-5-7-12/h3-7,16,18H,8-11H2,1-2H3,(H2,15,17)
InChIKeyXAFCSPNCOUUWCA-UHFFFAOYSA-N
XLogP1.98
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpentanimidamide
CID 107853324
N'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide
CID 77070479
5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063928
4-[2-(cyclopenten-1-yl)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 106177113
N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide
CID 77063342
2,2-dimethyl-3-(2-phenylethylamino)propanamide
CID 103617251
4-(2-tert-butylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062527
6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711118
N'-hydroxy-2,2-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]butanimidamide
CID 77062247
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064047
5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
CID 114162300

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide (CID 77062131) is N'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide is CC(C)(CCNCCc1ccccc1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide?
The InChIKey is XAFCSPNCOUUWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2,13(15)17-18)9-11-16-10-8-12-6-4-3-5-7-12/h3-7,16,18H,8-11H2,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide?
N'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide has a molecular weight of 249.36 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide is sourced from PubChem (CID 77062131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).