N-[2-[hydroxy(oxido)amino]-1,2,4,5-tetramethylcyclohexyl]-N-oxidohydroxylamine

C10H20N2O4-2 — CID 163897035

IUPACN-[2-[hydroxy(oxido)amino]-1,2,4,5-tetramethylcyclohexyl]-N-oxidohydroxylamine
SMILESCC1CC(C)(N([O-])O)C(C)(N([O-])O)CC1C
InChIInChI=1S/C10H20N2O4/c1-7-5-9(3,11(13)14)10(4,12(15)16)6-8(7)2/h7-8,13,15H,5-6H2,1-4H3/q-2
InChIKeyBRQWWJXKOGDRNU-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.95
Rot. Bonds2

About N-[2-[hydroxy(oxido)amino]-1,2,4,5-tetramethylcyclohexyl]-N-oxidohydroxylamine

N-[2-[hydroxy(oxido)amino]-1,2,4,5-tetramethylcyclohexyl]-N-oxidohydroxylamine (PubChem CID 163897035) has the molecular formula C10H20N2O4-2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[2-[hydroxy(oxido)amino]-1,2,4,5-tetramethylcyclohexyl]-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-[2-[hydroxy(oxido)amino]-1,2,4,5-tetramethylcyclohexyl]-N-oxidohydroxylamine
PubChem CID163897035
Molecular FormulaC10H20N2O4-2
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC NameN-[2-[hydroxy(oxido)amino]-1,2,4,5-tetramethylcyclohexyl]-N-oxidohydroxylamine
SMILESCC1CC(C)(N([O-])O)C(C)(N([O-])O)CC1C
InChIInChI=1S/C10H20N2O4/c1-7-5-9(3,11(13)14)10(4,12(15)16)6-8(7)2/h7-8,13,15H,5-6H2,1-4H3/q-2
InChIKeyBRQWWJXKOGDRNU-UHFFFAOYSA-N
XLogP1.95
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1,3,4,5-tetramethylcyclohexan-1-ol
CID 70226236
[(2S,3R)-2,3,4,4-tetramethylcyclopentyl]methanol
CID 130763803
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
[(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol
CID 129322383
1,3,4-trimethyl-1-(3-methylbutan-2-yl)cyclopentane
CID 123227883
1,1,2,2,3,4,5-heptamethylcyclohexane
CID 91092757
(1R,3R,4R)-1,4-dimethylcyclopentane-1,3-diamine
CID 124747898
potassium 2-[(3S,4S)-1-cyano-3,4-dimethylcyclopentyl]acetate
CID 69176347
2-methylcyclopropane-1,1-diol
CID 68932442
3a,5,6,7a-tetramethyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-ol
CID 66665985
1-[(1S)-1,2,4,5-tetramethylcyclohexyl]ethanol
CID 138606662
cis-(1R,2S)-2-amino-4,4-dimethylcyclopentane-1-carboxylic acid;hydrochloride
CID 45262222

Frequently Asked Questions

What is the IUPAC name of N-[2-[hydroxy(oxido)amino]-1,2,4,5-tetramethylcyclohexyl]-N-oxidohydroxylamine?
The IUPAC name of N-[2-[hydroxy(oxido)amino]-1,2,4,5-tetramethylcyclohexyl]-N-oxidohydroxylamine (CID 163897035) is N-[2-[hydroxy(oxido)amino]-1,2,4,5-tetramethylcyclohexyl]-N-oxidohydroxylamine.
What is the SMILES notation for N-[2-[hydroxy(oxido)amino]-1,2,4,5-tetramethylcyclohexyl]-N-oxidohydroxylamine?
The canonical SMILES for N-[2-[hydroxy(oxido)amino]-1,2,4,5-tetramethylcyclohexyl]-N-oxidohydroxylamine is CC1CC(C)(N([O-])O)C(C)(N([O-])O)CC1C.
What is the InChIKey of N-[2-[hydroxy(oxido)amino]-1,2,4,5-tetramethylcyclohexyl]-N-oxidohydroxylamine?
The InChIKey is BRQWWJXKOGDRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-7-5-9(3,11(13)14)10(4,12(15)16)6-8(7)2/h7-8,13,15H,5-6H2,1-4H3/q-2.
What are the key properties of N-[2-[hydroxy(oxido)amino]-1,2,4,5-tetramethylcyclohexyl]-N-oxidohydroxylamine?
N-[2-[hydroxy(oxido)amino]-1,2,4,5-tetramethylcyclohexyl]-N-oxidohydroxylamine has a molecular weight of 232.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[hydroxy(oxido)amino]-1,2,4,5-tetramethylcyclohexyl]-N-oxidohydroxylamine is sourced from PubChem (CID 163897035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).