6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N'-hydroxy-2,2-dimethylhexanimidamide

C15H30N4O — CID 106711016

IUPAC6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCNC1CN2CCC1CC2)C(N)=NO
InChIInChI=1S/C15H30N4O/c1-15(2,14(16)18-20)7-3-4-8-17-13-11-19-9-5-12(13)6-10-19/h12-13,17,20H,3-11H2,1-2H3,(H2,16,18)
InChIKeyPNSZVPOJFOEHCM-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.61
Rot. Bonds7

About 6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N'-hydroxy-2,2-dimethylhexanimidamide

6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106711016) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106711016
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCNC1CN2CCC1CC2)C(N)=NO
InChIInChI=1S/C15H30N4O/c1-15(2,14(16)18-20)7-3-4-8-17-13-11-19-9-5-12(13)6-10-19/h12-13,17,20H,3-11H2,1-2H3,(H2,16,18)
InChIKeyPNSZVPOJFOEHCM-UHFFFAOYSA-N
XLogP1.61
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.61
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

6-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711286
5-[(1,3-dimethylpiperidin-4-yl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104931144
5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063648
5-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063323
N'-hydroxy-2,2-dimethyl-6-(thiolan-3-ylamino)hexanimidamide
CID 106711687
4-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062762
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
CID 106710924
N-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121717
5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol
CID 106122442
N'-hydroxy-2,2-dimethyl-4-[(2-methylcycloheptyl)amino]butanimidamide
CID 77073748
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063998
1-(1-azabicyclo[2.2.2]octan-3-ylamino)-2,3-dimethylbutan-2-ol
CID 114492721

Frequently Asked Questions

What is the IUPAC name of 6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106711016) is 6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N'-hydroxy-2,2-dimethylhexanimidamide is CC(C)(CCCCNC1CN2CCC1CC2)C(N)=NO.
What is the InChIKey of 6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is PNSZVPOJFOEHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-15(2,14(16)18-20)7-3-4-8-17-13-11-19-9-5-12(13)6-10-19/h12-13,17,20H,3-11H2,1-2H3,(H2,16,18).
What are the key properties of 6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N'-hydroxy-2,2-dimethylhexanimidamide?
6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 282.43 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).