N'-hydroxy-2,2-dimethyl-4-(3-propan-2-ylanilino)butanimidamide

C15H25N3O — CID 77061838

IUPACN'-hydroxy-2,2-dimethyl-4-(3-propan-2-ylanilino)butanimidamide
SMILESCC(C)c1cccc(NCCC(C)(C)C(N)=NO)c1
InChIInChI=1S/C15H25N3O/c1-11(2)12-6-5-7-13(10-12)17-9-8-15(3,4)14(16)18-19/h5-7,10-11,17,19H,8-9H2,1-4H3,(H2,16,18)
InChIKeyNPOUNCLCDQGALB-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.38
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-4-(3-propan-2-ylanilino)butanimidamide

N'-hydroxy-2,2-dimethyl-4-(3-propan-2-ylanilino)butanimidamide (PubChem CID 77061838) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-(3-propan-2-ylanilino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-(3-propan-2-ylanilino)butanimidamide
PubChem CID77061838
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN'-hydroxy-2,2-dimethyl-4-(3-propan-2-ylanilino)butanimidamide
SMILESCC(C)c1cccc(NCCC(C)(C)C(N)=NO)c1
InChIInChI=1S/C15H25N3O/c1-11(2)12-6-5-7-13(10-12)17-9-8-15(3,4)14(16)18-19/h5-7,10-11,17,19H,8-9H2,1-4H3,(H2,16,18)
InChIKeyNPOUNCLCDQGALB-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
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

N'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
CID 77063290
4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061870
N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide
CID 77063510
5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063928
2-(3-propan-2-ylanilino)ethanol
CID 28973580
4-[1-(3-bromophenyl)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062034
N'-hydroxy-4-[(3-propan-2-ylanilino)methyl]benzenecarboximidamide
CID 77029366
N'-hydroxy-2,2-dimethyl-5-[[(1R)-1-(3-methylphenyl)ethyl]amino]pentanimidamide
CID 81360398
5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 81376418
N'-hydroxy-2,2-dimethyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanimidamide
CID 106711462
4-(4-bromo-3-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062127
N'-hydroxy-5-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpentanimidamide
CID 81353793

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-4-(3-propan-2-ylanilino)butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-(3-propan-2-ylanilino)butanimidamide (CID 77061838) is N'-hydroxy-2,2-dimethyl-4-(3-propan-2-ylanilino)butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-(3-propan-2-ylanilino)butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-(3-propan-2-ylanilino)butanimidamide is CC(C)c1cccc(NCCC(C)(C)C(N)=NO)c1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-(3-propan-2-ylanilino)butanimidamide?
The InChIKey is NPOUNCLCDQGALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)12-6-5-7-13(10-12)17-9-8-15(3,4)14(16)18-19/h5-7,10-11,17,19H,8-9H2,1-4H3,(H2,16,18).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-(3-propan-2-ylanilino)butanimidamide?
N'-hydroxy-2,2-dimethyl-4-(3-propan-2-ylanilino)butanimidamide has a molecular weight of 263.38 g/mol, XLogP of 3.38, 6 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-(3-propan-2-ylanilino)butanimidamide is sourced from PubChem (CID 77061838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).