4-(2-tert-butylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide

C16H27N3O — CID 77062527

IUPAC4-(2-tert-butylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCNc1ccccc1C(C)(C)C)C(N)=NO
InChIInChI=1S/C16H27N3O/c1-15(2,3)12-8-6-7-9-13(12)18-11-10-16(4,5)14(17)19-20/h6-9,18,20H,10-11H2,1-5H3,(H2,17,19)
InChIKeyFRANDMCLBSICCD-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.56
Rot. Bonds5

About 4-(2-tert-butylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide

4-(2-tert-butylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062527) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-(2-tert-butylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(2-tert-butylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062527
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-(2-tert-butylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCNc1ccccc1C(C)(C)C)C(N)=NO
InChIInChI=1S/C16H27N3O/c1-15(2,3)12-8-6-7-9-13(12)18-11-10-16(4,5)14(17)19-20/h6-9,18,20H,10-11H2,1-5H3,(H2,17,19)
InChIKeyFRANDMCLBSICCD-UHFFFAOYSA-N
XLogP3.56
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.56
H-Bond Donors ≤ 53
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

4-(2,3-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062239
4-(3-chloro-2-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062335
5-[2-(dimethylamino)anilino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 106760070
6-(2-ethylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711028
4-(5-chloro-2-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062230
N'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide
CID 77062215
N'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide
CID 77062131
2-tert-butyl-N-propylaniline
CID 39238556
4-(5-chloro-2-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061908
4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062149
4-(2-bromo-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77069992
N'-hydroxy-2,2-dimethyl-4-(3-propan-2-ylanilino)butanimidamide
CID 77061838

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(2-tert-butylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062527) is 4-(2-tert-butylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(2-tert-butylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(2-tert-butylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide is CC(C)(CCNc1ccccc1C(C)(C)C)C(N)=NO.
What is the InChIKey of 4-(2-tert-butylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is FRANDMCLBSICCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-15(2,3)12-8-6-7-9-13(12)18-11-10-16(4,5)14(17)19-20/h6-9,18,20H,10-11H2,1-5H3,(H2,17,19).
What are the key properties of 4-(2-tert-butylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide?
4-(2-tert-butylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 277.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).