6-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide

C16H34N4O — CID 106710834

IUPAC6-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCCN1CCC(N(C)CCCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C16H34N4O/c1-5-20-12-8-14(9-13-20)19(4)11-7-6-10-16(2,3)15(17)18-21/h14,21H,5-13H2,1-4H3,(H2,17,18)
InChIKeyJOJJCFMMGSZIKI-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.35
Rot. Bonds8

About 6-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide

6-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106710834) has the molecular formula C16H34N4O and a molecular weight of 298.47 g/mol. Its IUPAC name is 6-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106710834
Molecular FormulaC16H34N4O
Molecular Weight298.47 g/mol
Exact Mass298.27
IUPAC Name6-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCCN1CCC(N(C)CCCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C16H34N4O/c1-5-20-12-8-14(9-13-20)19(4)11-7-6-10-16(2,3)15(17)18-21/h14,21H,5-13H2,1-4H3,(H2,17,18)
InChIKeyJOJJCFMMGSZIKI-UHFFFAOYSA-N
XLogP2.35
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.35
H-Bond Donors ≤ 52
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-6-[methyl(oxan-4-yl)amino]hexanimidamide
CID 106710751
5-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064071
6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710747
6-[2-[cyclopropyl(methyl)amino]ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711210
5-[(1-ethylpiperidin-4-yl)-methylamino]pentanethioamide
CID 55004464
5-[(1-ethylpiperidin-4-yl)-methylamino]pentanimidamide
CID 55004270
N'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide
CID 106710729
N'-(1-ethylpiperidin-4-yl)-N',2,2-trimethylbutane-1,4-diamine
CID 65246884
5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77109637
6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710782
5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063094
N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide
CID 106710684

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106710834) is 6-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide is CCN1CCC(N(C)CCCCC(C)(C)C(N)=NO)CC1.
What is the InChIKey of 6-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is JOJJCFMMGSZIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-5-20-12-8-14(9-13-20)19(4)11-7-6-10-16(2,3)15(17)18-21/h14,21H,5-13H2,1-4H3,(H2,17,18).
What are the key properties of 6-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
6-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 298.47 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106710834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).