5-(N,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide

C15H25N3O — CID 77063581

IUPAC5-(N,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCc1ccc(N(C)CCCC(C)(C)C(N)=NO)cc1
InChIInChI=1S/C15H25N3O/c1-12-6-8-13(9-7-12)18(4)11-5-10-15(2,3)14(16)17-19/h6-9,19H,5,10-11H2,1-4H3,(H2,16,17)
InChIKeyKKLRPBFZBJWJQL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.98
Rot. Bonds6

About 5-(N,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(N,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063581) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-(N,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(N,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063581
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-(N,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCc1ccc(N(C)CCCC(C)(C)C(N)=NO)cc1
InChIInChI=1S/C15H25N3O/c1-12-6-8-13(9-7-12)18(4)11-5-10-15(2,3)14(16)17-19/h6-9,19H,5,10-11H2,1-4H3,(H2,16,17)
InChIKeyKKLRPBFZBJWJQL-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', '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-2,2-dimethyl-5-(N-methylanilino)pentanimidamide
CID 77063059
5-(N-ethyl-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063542
5-(N,4-dimethylanilino)-2,2-dimethylpentanimidamide
CID 65258136
5-(3-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063622
5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063094
N'-hydroxy-2,2-dimethyl-6-[1-(4-methylphenyl)ethylamino]hexanimidamide
CID 106711270
5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol
CID 64791309
N'-hydroxy-2,2-dimethyl-5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentanimidamide
CID 79493840
6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710866
N'-hydroxy-2,2-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 77063985
5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64790514
5-(N,4-dimethylanilino)pentan-1-ol
CID 62226910

Frequently Asked Questions

What is the IUPAC name of 5-(N,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(N,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063581) is 5-(N,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(N,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(N,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is Cc1ccc(N(C)CCCC(C)(C)C(N)=NO)cc1.
What is the InChIKey of 5-(N,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is KKLRPBFZBJWJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-6-8-13(9-7-12)18(4)11-5-10-15(2,3)14(16)17-19/h6-9,19H,5,10-11H2,1-4H3,(H2,16,17).
What are the key properties of 5-(N,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(N,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 263.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).