(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

C20H31NO — CID 124836424

IUPAC(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
SMILESC[C@H]1[C@H]2C[C@@H](CC2=C2/C(=N\O)[C@H]3C[C@H]2C(C)(C)[C@H]3C)C1(C)C
InChIInChI=1S/C20H31NO/c1-10-13-7-12(19(10,3)4)8-15(13)17-16-9-14(18(17)21-22)11(2)20(16,5)6/h10-14,16,22H,7-9H2,1-6H3/b17-15?,21-18-/t10-,11-,12-,13+,14-,16+/m0/s1
InChIKeyCCDHTPVHZBYPLL-KSDHTDJESA-N
MW301.47 g/mol
LogP5.13
Rot. Bonds

About (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

(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 (PubChem CID 124836424) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID124836424
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name(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
SMILESC[C@H]1[C@H]2C[C@@H](CC2=C2/C(=N\O)[C@H]3C[C@H]2C(C)(C)[C@H]3C)C1(C)C
InChIInChI=1S/C20H31NO/c1-10-13-7-12(19(10,3)4)8-15(13)17-16-9-14(18(17)21-22)11(2)20(16,5)6/h10-14,16,22H,7-9H2,1-6H3/b17-15?,21-18-/t10-,11-,12-,13+,14-,16+/m0/s1
InChIKeyCCDHTPVHZBYPLL-KSDHTDJESA-N
XLogP5.13
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.47
LogP ≤ 55.13
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'}

Analyze (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 with MolForge

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Related Compounds

(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
2,4-dinitro-N-[[(1S,3Z,4S,6S)-5,5,6-trimethyl-3-[(1R,4S,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]-2-bicyclo[2.2.1]heptanylidene]amino]aniline
CID 129440643
N-[(1R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine
CID 6708629
(3-hydroxyimino-5,6,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylazanium
CID 4300744
(1S,2R,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 23268112
(1S,2R,3E,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 14570352
(1S,3Z,5S)-3-hydroxyimino-6,6-dimethylbicyclo[3.1.1]heptan-2-one
CID 98513300
(1R,2R,3E,5R)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 139206266
N-[(Z)-[(1S,4S,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-4-carboxamide
CID 5418618
N-[[(1R,4S,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-2-carboxamide
CID 23308526
ethyl 2-cyano-2-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene)acetate
CID 3825757
5-methyl-2-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol
CID 3572630

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@H]1[C@H]2C[C@@H](CC2=C2/C(=N\O)[C@H]3C[C@H]2C(C)(C)[C@H]3C)C1(C)C.
What is the InChIKey of (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?
The InChIKey is CCDHTPVHZBYPLL-KSDHTDJESA-N. The full InChI is InChI=1S/C20H31NO/c1-10-13-7-12(19(10,3)4)8-15(13)17-16-9-14(18(17)21-22)11(2)20(16,5)6/h10-14,16,22H,7-9H2,1-6H3/b17-15?,21-18-/t10-,11-,12-,13+,14-,16+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 301.47 g/mol, XLogP of 5.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 124836424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).