(3-hydroxyimino-5,6,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylazanium

C14H27N2O+ — CID 4300744

IUPAC(3-hydroxyimino-5,6,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylazanium
SMILESCC1C2CC(C(C[N+](C)(C)C)C2=NO)C1(C)C
InChIInChI=1S/C14H26N2O/c1-9-10-7-12(14(9,2)3)11(13(10)15-17)8-16(4,5)6/h9-12H,7-8H2,1-6H3/p+1
InChIKeyRWUZNQWSXHEELB-UHFFFAOYSA-O
MW239.38 g/mol
LogP2.45
Rot. Bonds2

About (3-hydroxyimino-5,6,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylazanium

(3-hydroxyimino-5,6,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylazanium (PubChem CID 4300744) has the molecular formula C14H27N2O+ and a molecular weight of 239.38 g/mol. Its IUPAC name is (3-hydroxyimino-5,6,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylazanium.

Molecular Properties

Compound Name(3-hydroxyimino-5,6,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylazanium
PubChem CID4300744
Molecular FormulaC14H27N2O+
Molecular Weight239.38 g/mol
Exact Mass239.21
IUPAC Name(3-hydroxyimino-5,6,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylazanium
SMILESCC1C2CC(C(C[N+](C)(C)C)C2=NO)C1(C)C
InChIInChI=1S/C14H26N2O/c1-9-10-7-12(14(9,2)3)11(13(10)15-17)8-16(4,5)6/h9-12H,7-8H2,1-6H3/p+1
InChIKeyRWUZNQWSXHEELB-UHFFFAOYSA-O
XLogP2.45
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dimethyl-[[(1R,2R,4R,5S)-5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methyl]azanium
CID 6581901
dimethyl-[(5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)methyl]azanium
CID 4263674
(1R,3R,4R,6S)-5,5,6-trimethyl-3-[(1R,2R,4R,5R)-5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptan-2-one
CID 50903533
(NZ)-N-[(1S,3Z,4S,6R)-5,5,6-trimethyl-3-[(1R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 23309532
(NZ)-N-[(1S,4S,6S)-5,5,6-trimethyl-3-[(1R,4S,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 124836424
N-[(1S,3R,5R,7R,8R,9R,10S,11S)-6,6-dinitro-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanylidene]hydroxylamine
CID 125033775
N-[(1R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine
CID 6708629
[(2E)-2-hydroxyiminocyclopentyl]methyl-trimethylazanium
CID 5466661
(NE)-N-[(1R,2R,6S,7S,9S)-9-[(dimethylamino)methyl]-8-tricyclo[5.2.1.02,6]decanylidene]hydroxylamine
CID 15304567
(1R,3S,4S,6R)-5,5,6-trimethyl-3-piperidin-1-ylsulfonylbicyclo[2.2.1]heptan-2-one
CID 7155206
2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid
CID 5458250
ethyl 2-[(1R,2E,3R,5S)-2-hydroxyimino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]acetate;ethyl 2-[(1R,3R,5S)-6-methyl-2-oxo-3-bicyclo[3.1.1]heptanyl]acetate
CID 172984029

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyimino-5,6,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylazanium?
The IUPAC name of (3-hydroxyimino-5,6,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylazanium (CID 4300744) is (3-hydroxyimino-5,6,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylazanium.
What is the SMILES notation for (3-hydroxyimino-5,6,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylazanium?
The canonical SMILES for (3-hydroxyimino-5,6,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylazanium is CC1C2CC(C(C[N+](C)(C)C)C2=NO)C1(C)C.
What is the InChIKey of (3-hydroxyimino-5,6,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylazanium?
The InChIKey is RWUZNQWSXHEELB-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H26N2O/c1-9-10-7-12(14(9,2)3)11(13(10)15-17)8-16(4,5)6/h9-12H,7-8H2,1-6H3/p+1.
What are the key properties of (3-hydroxyimino-5,6,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylazanium?
(3-hydroxyimino-5,6,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylazanium has a molecular weight of 239.38 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyimino-5,6,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylazanium is sourced from PubChem (CID 4300744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).