(NZ)-N-[(1S,2R,5S)-2,6,6-trimethyl-2-morpholin-4-yl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine

C14H24N2O2 — CID 11899014

IUPAC(NZ)-N-[(1S,2R,5S)-2,6,6-trimethyl-2-morpholin-4-yl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine
SMILESCC1(C)[C@@H]2C/C(=N/O)[C@](C)(N3CCOCC3)[C@H]1C2
InChIInChI=1S/C14H24N2O2/c1-13(2)10-8-11(13)14(3,12(9-10)15-17)16-4-6-18-7-5-16/h10-11,17H,4-9H2,1-3H3/b15-12-/t10-,11-,14+/m0/s1
InChIKeyCYIPWGXDQFGNCF-KXGOIHKMSA-N
MW252.36 g/mol
LogP1.97
Rot. Bonds1

About (NZ)-N-[(1S,2R,5S)-2,6,6-trimethyl-2-morpholin-4-yl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine

(NZ)-N-[(1S,2R,5S)-2,6,6-trimethyl-2-morpholin-4-yl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine (PubChem CID 11899014) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (NZ)-N-[(1S,2R,5S)-2,6,6-trimethyl-2-morpholin-4-yl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1S,2R,5S)-2,6,6-trimethyl-2-morpholin-4-yl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine
PubChem CID11899014
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(NZ)-N-[(1S,2R,5S)-2,6,6-trimethyl-2-morpholin-4-yl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine
SMILESCC1(C)[C@@H]2C/C(=N/O)[C@](C)(N3CCOCC3)[C@H]1C2
InChIInChI=1S/C14H24N2O2/c1-13(2)10-8-11(13)14(3,12(9-10)15-17)16-4-6-18-7-5-16/h10-11,17H,4-9H2,1-3H3/b15-12-/t10-,11-,14+/m0/s1
InChIKeyCYIPWGXDQFGNCF-KXGOIHKMSA-N
XLogP1.97
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

(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
(1R,2R,3E,5R)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 139206266
(NZ)-N-[(1S,2R,5S)-2-(benzylamino)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine
CID 11899018
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
2,2-dimethyl-3-morpholin-4-ylcyclobutan-1-ol
CID 114631728
9a-methyl-1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazine;ethane
CID 170624050
(4E,4aR,4bS,8aS)-4-hydroxyimino-8a-morpholin-4-yl-9-oxido-1,2,3,4b,5,6,7,8-octahydrocarbazol-9-ium-4a-ol
CID 98551589
(1R,2S,3R,5R)-6,6-dimethyl-2-morpholin-4-ylbicyclo[3.1.1]heptan-3-ol
CID 25269670
(NZ)-N-[(1R,4R,7R)-7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 7744961
(1R,2R,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-dioxolane]-3-one
CID 102246365
ethyl 2-[[(1S,2R,5S)-2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]acetate
CID 13420655

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(1S,2R,5S)-2,6,6-trimethyl-2-morpholin-4-yl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1S,2R,5S)-2,6,6-trimethyl-2-morpholin-4-yl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine (CID 11899014) is (NZ)-N-[(1S,2R,5S)-2,6,6-trimethyl-2-morpholin-4-yl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1S,2R,5S)-2,6,6-trimethyl-2-morpholin-4-yl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1S,2R,5S)-2,6,6-trimethyl-2-morpholin-4-yl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine is CC1(C)[C@@H]2C/C(=N/O)[C@](C)(N3CCOCC3)[C@H]1C2.
What is the InChIKey of (NZ)-N-[(1S,2R,5S)-2,6,6-trimethyl-2-morpholin-4-yl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine?
The InChIKey is CYIPWGXDQFGNCF-KXGOIHKMSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-13(2)10-8-11(13)14(3,12(9-10)15-17)16-4-6-18-7-5-16/h10-11,17H,4-9H2,1-3H3/b15-12-/t10-,11-,14+/m0/s1.
What are the key properties of (NZ)-N-[(1S,2R,5S)-2,6,6-trimethyl-2-morpholin-4-yl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine?
(NZ)-N-[(1S,2R,5S)-2,6,6-trimethyl-2-morpholin-4-yl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine has a molecular weight of 252.36 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1S,2R,5S)-2,6,6-trimethyl-2-morpholin-4-yl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine is sourced from PubChem (CID 11899014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).