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

C16H34N4O — CID 107164198

IUPAC6-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCN1CCC(C)(CNCCCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C16H34N4O/c1-15(2,14(17)19-21)7-5-6-10-18-13-16(3)8-11-20(4)12-9-16/h18,21H,5-13H2,1-4H3,(H2,17,19)
InChIKeyIPNHAVBRFWNAIN-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.25
Rot. Bonds8

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

6-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 107164198) has the molecular formula C16H34N4O and a molecular weight of 298.47 g/mol. Its IUPAC name is 6-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID107164198
Molecular FormulaC16H34N4O
Molecular Weight298.47 g/mol
Exact Mass298.27
IUPAC Name6-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCN1CCC(C)(CNCCCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C16H34N4O/c1-15(2,14(17)19-21)7-5-6-10-18-13-16(3)8-11-20(4)12-9-16/h18,21H,5-13H2,1-4H3,(H2,17,19)
InChIKeyIPNHAVBRFWNAIN-UHFFFAOYSA-N
XLogP2.25
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.25
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

5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide
CID 114281626
N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide
CID 106710684
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
CID 106710924
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybutan-1-amine
CID 107163643
N'-hydroxy-4-[(1-hydroxycycloheptyl)methylamino]-2,2-dimethylbutanimidamide
CID 77062740
N'-tert-butyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 107446288
N'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide
CID 106711655
N'-hydroxy-2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pentanimidamide
CID 79350192
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea
CID 106711535
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide
CID 104762088

Frequently Asked Questions

What is the IUPAC name of 6-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide (CID 107164198) is 6-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide is CN1CCC(C)(CNCCCCC(C)(C)C(N)=NO)CC1.
What is the InChIKey of 6-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is IPNHAVBRFWNAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-15(2,14(17)19-21)7-5-6-10-18-13-16(3)8-11-20(4)12-9-16/h18,21H,5-13H2,1-4H3,(H2,17,19).
What are the key properties of 6-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
6-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 298.47 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 107164198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).