7,7-dimethyl-1-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-one;(NZ)-N-[7,7-dimethyl-1-(2-morpholin-4-ylethyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

C30H51N3O4 — CID 172936189

IUPAC7,7-dimethyl-1-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-one;(NZ)-N-[7,7-dimethyl-1-(2-morpholin-4-ylethyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESCC1(C)C2CCC1(CCN1CCOCC1)/C(=N\O)C2.CC1(C)C2CCC1(CCN1CCOCC1)C(=O)C2
InChIInChI=1S/C15H26N2O2.C15H25NO2/c1-14(2)12-3-4-15(14,13(11-12)16-18)5-6-17-7-9-19-10-8-17;1-14(2)12-3-4-15(14,13(17)11-12)5-6-16-7-9-18-10-8-16/h12,18H,3-11H2,1-2H3;12H,3-11H2,1-2H3/b16-13-;
InChIKeyQTLXZZDEBSNXHV-UNVLYCKESA-N
MW517.76 g/mol
LogP4.47
Rot. Bonds6

About 7,7-dimethyl-1-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-one;(NZ)-N-[7,7-dimethyl-1-(2-morpholin-4-ylethyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

7,7-dimethyl-1-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-one;(NZ)-N-[7,7-dimethyl-1-(2-morpholin-4-ylethyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (PubChem CID 172936189) has the molecular formula C30H51N3O4 and a molecular weight of 517.76 g/mol. Its IUPAC name is 7,7-dimethyl-1-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-one;(NZ)-N-[7,7-dimethyl-1-(2-morpholin-4-ylethyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.

Molecular Properties

Compound Name7,7-dimethyl-1-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-one;(NZ)-N-[7,7-dimethyl-1-(2-morpholin-4-ylethyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
PubChem CID172936189
Molecular FormulaC30H51N3O4
Molecular Weight517.76 g/mol
Exact Mass517.39
IUPAC Name7,7-dimethyl-1-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-one;(NZ)-N-[7,7-dimethyl-1-(2-morpholin-4-ylethyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESCC1(C)C2CCC1(CCN1CCOCC1)/C(=N\O)C2.CC1(C)C2CCC1(CCN1CCOCC1)C(=O)C2
InChIInChI=1S/C15H26N2O2.C15H25NO2/c1-14(2)12-3-4-15(14,13(11-12)16-18)5-6-17-7-9-19-10-8-17;1-14(2)12-3-4-15(14,13(17)11-12)5-6-16-7-9-18-10-8-16/h12,18H,3-11H2,1-2H3;12H,3-11H2,1-2H3/b16-13-;
InChIKeyQTLXZZDEBSNXHV-UNVLYCKESA-N
XLogP4.47
TPSA74.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.76
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

Analyze 7,7-dimethyl-1-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-one;(NZ)-N-[7,7-dimethyl-1-(2-morpholin-4-ylethyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine with MolForge

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Related Compounds

(1S,4R)-7,7-dimethyl-1-(morpholin-4-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one
CID 859959
7,7-dimethyl-1-(morpholin-4-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one
CID 3149640
1-[3-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)propyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 122603320
7,7-dimethyl-N-(3-morpholin-4-ylpropyl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834163
7,7-dimethyl-1-[[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one
CID 55508760
2-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)acetamide
CID 174448310
2-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N,N-dimethylethanamine oxide
CID 11379119
lithium;1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N,N-di(propan-2-yl)methanesulfonamide;1-[2-hydroxy-7,7-dimethyl-2-(morpholin-4-ylmethyl)-1-bicyclo[2.2.1]heptanyl]-N,N-di(propan-2-yl)methanesulfonamide;4-methanidylmorpholine
CID 158588954
(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methyl dihydrogen phosphate
CID 174251091
(1R)-7,7-dimethyl-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one
CID 121356054
1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide
CID 6598410
N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 45157399

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-one;(NZ)-N-[7,7-dimethyl-1-(2-morpholin-4-ylethyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The IUPAC name of 7,7-dimethyl-1-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-one;(NZ)-N-[7,7-dimethyl-1-(2-morpholin-4-ylethyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (CID 172936189) is 7,7-dimethyl-1-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-one;(NZ)-N-[7,7-dimethyl-1-(2-morpholin-4-ylethyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.
What is the SMILES notation for 7,7-dimethyl-1-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-one;(NZ)-N-[7,7-dimethyl-1-(2-morpholin-4-ylethyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The canonical SMILES for 7,7-dimethyl-1-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-one;(NZ)-N-[7,7-dimethyl-1-(2-morpholin-4-ylethyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is CC1(C)C2CCC1(CCN1CCOCC1)/C(=N\O)C2.CC1(C)C2CCC1(CCN1CCOCC1)C(=O)C2.
What is the InChIKey of 7,7-dimethyl-1-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-one;(NZ)-N-[7,7-dimethyl-1-(2-morpholin-4-ylethyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The InChIKey is QTLXZZDEBSNXHV-UNVLYCKESA-N. The full InChI is InChI=1S/C15H26N2O2.C15H25NO2/c1-14(2)12-3-4-15(14,13(11-12)16-18)5-6-17-7-9-19-10-8-17;1-14(2)12-3-4-15(14,13(17)11-12)5-6-16-7-9-18-10-8-16/h12,18H,3-11H2,1-2H3;12H,3-11H2,1-2H3/b16-13-;.
What are the key properties of 7,7-dimethyl-1-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-one;(NZ)-N-[7,7-dimethyl-1-(2-morpholin-4-ylethyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
7,7-dimethyl-1-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-one;(NZ)-N-[7,7-dimethyl-1-(2-morpholin-4-ylethyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine has a molecular weight of 517.76 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-one;(NZ)-N-[7,7-dimethyl-1-(2-morpholin-4-ylethyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is sourced from PubChem (CID 172936189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).