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

C16H33N3O — CID 106711286

IUPAC6-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCCC1CCCCC1NCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C16H33N3O/c1-4-13-9-5-6-10-14(13)18-12-8-7-11-16(2,3)15(17)19-20/h13-14,18,20H,4-12H2,1-3H3,(H2,17,19)
InChIKeyXXPKLVSNVILNQM-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.49
Rot. Bonds8

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

6-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106711286) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 6-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106711286
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name6-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCCC1CCCCC1NCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C16H33N3O/c1-4-13-9-5-6-10-14(13)18-12-8-7-11-16(2,3)15(17)19-20/h13-14,18,20H,4-12H2,1-3H3,(H2,17,19)
InChIKeyXXPKLVSNVILNQM-UHFFFAOYSA-N
XLogP3.49
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.49
H-Bond Donors ≤ 53
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-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063323
N'-hydroxy-2,2-dimethyl-4-[(2-methylcycloheptyl)amino]butanimidamide
CID 77073748
6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711016
5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063648
2-ethyl-N-heptylcyclohexan-1-amine
CID 43709374
N'-hydroxy-2,2-dimethyl-6-(thiolan-3-ylamino)hexanimidamide
CID 106711687
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
CID 106710924
4-(cyclopentylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062172
5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 106011988
5-[(1,3-dimethylpiperidin-4-yl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104931144
4-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062762
3-[(2-ethylcyclohexyl)amino]propanamide
CID 61466861

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106711286) is 6-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide is CCC1CCCCC1NCCCCC(C)(C)C(N)=NO.
What is the InChIKey of 6-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is XXPKLVSNVILNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-4-13-9-5-6-10-14(13)18-12-8-7-11-16(2,3)15(17)19-20/h13-14,18,20H,4-12H2,1-3H3,(H2,17,19).
What are the key properties of 6-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
6-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 283.46 g/mol, XLogP of 3.49, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).