5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide

C15H25N3O — CID 77063963

IUPAC5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCc1ccc(NCCCC(C)(C)C(N)=NO)cc1C
InChIInChI=1S/C15H25N3O/c1-11-6-7-13(10-12(11)2)17-9-5-8-15(3,4)14(16)18-19/h6-7,10,17,19H,5,8-9H2,1-4H3,(H2,16,18)
InChIKeyNHARWJFJLYQZFH-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.27
Rot. Bonds6

About 5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063963) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063963
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCc1ccc(NCCCC(C)(C)C(N)=NO)cc1C
InChIInChI=1S/C15H25N3O/c1-11-6-7-13(10-12(11)2)17-9-5-8-15(3,4)14(16)18-19/h6-7,10,17,19H,5,8-9H2,1-4H3,(H2,16,18)
InChIKeyNHARWJFJLYQZFH-UHFFFAOYSA-N
XLogP3.27
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.27
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

5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063562
6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711027
4-(4-bromo-3-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062127
5-(3-bromo-4-fluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104779738
5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063921
4-(4-bromo-3,5-dimethylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 107575376
N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide
CID 77063510
5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063928
5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063405
4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061870
N'-hydroxy-2,2-dimethyl-6-(4-methylsulfanylanilino)hexanimidamide
CID 106710965
N'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide
CID 77063802

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063963) is 5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is Cc1ccc(NCCCC(C)(C)C(N)=NO)cc1C.
What is the InChIKey of 5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is NHARWJFJLYQZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-6-7-13(10-12(11)2)17-9-5-8-15(3,4)14(16)18-19/h6-7,10,17,19H,5,8-9H2,1-4H3,(H2,16,18).
What are the key properties of 5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 263.38 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).