6-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide

C16H35N3O — CID 106710790

IUPAC6-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCCC(CC)CN(CC)CCCCC(C)(C)C(N)=NO
InChIInChI=1S/C16H35N3O/c1-6-14(7-2)13-19(8-3)12-10-9-11-16(4,5)15(17)18-20/h14,20H,6-13H2,1-5H3,(H2,17,18)
InChIKeyMQTZNHZYTXHTNX-UHFFFAOYSA-N
MW285.48 g/mol
LogP3.69
Rot. Bonds11

About 6-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide

6-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106710790) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 6-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106710790
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name6-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCCC(CC)CN(CC)CCCCC(C)(C)C(N)=NO
InChIInChI=1S/C16H35N3O/c1-6-14(7-2)13-19(8-3)12-10-9-11-16(4,5)15(17)18-20/h14,20H,6-13H2,1-5H3,(H2,17,18)
InChIKeyMQTZNHZYTXHTNX-UHFFFAOYSA-N
XLogP3.69
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
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-[butyl(ethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063075
6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710799
4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104861776
N'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide
CID 106710729
2-amino-5-[ethyl(2-ethylbutyl)amino]-2-methylpentan-1-ol
CID 64826939
N'-hydroxy-2,2-dimethyl-5-[methyl(2-methylbutyl)amino]pentanimidamide
CID 77063572
N'-hydroxy-2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
CID 77063707
5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063094
5-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063702
5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063336
4-[ethyl(propan-2-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062836
6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710866

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106710790) is 6-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide is CCC(CC)CN(CC)CCCCC(C)(C)C(N)=NO.
What is the InChIKey of 6-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is MQTZNHZYTXHTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-6-14(7-2)13-19(8-3)12-10-9-11-16(4,5)15(17)18-20/h14,20H,6-13H2,1-5H3,(H2,17,18).
What are the key properties of 6-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
6-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 285.48 g/mol, XLogP of 3.69, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106710790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).