N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide

C15H33N3O2 — CID 106011954

IUPACN'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide
SMILESCC(C)OCCCCNCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C15H33N3O2/c1-13(2)20-12-8-7-11-17-10-6-5-9-15(3,4)14(16)18-19/h13,17,19H,5-12H2,1-4H3,(H2,16,18)
InChIKeyQXSMCPSNKYTEHB-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.72
Rot. Bonds12

About N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide

N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide (PubChem CID 106011954) has the molecular formula C15H33N3O2 and a molecular weight of 287.45 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide
PubChem CID106011954
Molecular FormulaC15H33N3O2
Molecular Weight287.45 g/mol
Exact Mass287.26
IUPAC NameN'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide
SMILESCC(C)OCCCCNCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C15H33N3O2/c1-13(2)20-12-8-7-11-17-10-6-5-9-15(3,4)14(16)18-19/h13,17,19H,5-12H2,1-4H3,(H2,16,18)
InChIKeyQXSMCPSNKYTEHB-UHFFFAOYSA-N
XLogP2.72
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide
CID 104762047
N'-hydroxy-6-[4-(2-methoxyethoxy)butylamino]-2,2-dimethylhexanimidamide
CID 106711583
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
N'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide
CID 106161745
N'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide
CID 106711229
N'-hydroxy-2-(4-propan-2-yloxybutylamino)ethanimidamide
CID 106011945
N'-hydroxy-2,2-dimethyl-6-(3-methylsulfinylbutylamino)hexanimidamide
CID 106711613
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide
CID 106711562
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea
CID 106711535
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
CID 106710924
5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063336

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide (CID 106011954) is N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide is CC(C)OCCCCNCCCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide?
The InChIKey is QXSMCPSNKYTEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2/c1-13(2)20-12-8-7-11-17-10-6-5-9-15(3,4)14(16)18-19/h13,17,19H,5-12H2,1-4H3,(H2,16,18).
What are the key properties of N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide?
N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide has a molecular weight of 287.45 g/mol, XLogP of 2.72, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide is sourced from PubChem (CID 106011954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).