1-(3,5-dimethylmorpholin-4-yl)-3-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxypropan-2-ol

C19H34N2O3 — CID 10088525

IUPAC1-(3,5-dimethylmorpholin-4-yl)-3-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxypropan-2-ol
SMILESCC1COCC(C)N1CC(O)CO/N=C1\CC2CCC1(C)C2(C)C
InChIInChI=1S/C19H34N2O3/c1-13-10-23-11-14(2)21(13)9-16(22)12-24-20-17-8-15-6-7-19(17,5)18(15,3)4/h13-16,22H,6-12H2,1-5H3/b20-17+
InChIKeyBMBCLFWHFTUOGN-LVZFUZTISA-N
MW338.49 g/mol
LogP2.68
Rot. Bonds5

About 1-(3,5-dimethylmorpholin-4-yl)-3-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxypropan-2-ol

1-(3,5-dimethylmorpholin-4-yl)-3-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxypropan-2-ol (PubChem CID 10088525) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is 1-(3,5-dimethylmorpholin-4-yl)-3-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxypropan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylmorpholin-4-yl)-3-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxypropan-2-ol
PubChem CID10088525
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Name1-(3,5-dimethylmorpholin-4-yl)-3-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxypropan-2-ol
SMILESCC1COCC(C)N1CC(O)CO/N=C1\CC2CCC1(C)C2(C)C
InChIInChI=1S/C19H34N2O3/c1-13-10-23-11-14(2)21(13)9-16(22)12-24-20-17-8-15-6-7-19(17,5)18(15,3)4/h13-16,22H,6-12H2,1-5H3/b20-17+
InChIKeyBMBCLFWHFTUOGN-LVZFUZTISA-N
XLogP2.68
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylmorpholin-4-yl)-3-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxypropan-2-ol?
The IUPAC name of 1-(3,5-dimethylmorpholin-4-yl)-3-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxypropan-2-ol (CID 10088525) is 1-(3,5-dimethylmorpholin-4-yl)-3-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxypropan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylmorpholin-4-yl)-3-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxypropan-2-ol?
The canonical SMILES for 1-(3,5-dimethylmorpholin-4-yl)-3-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxypropan-2-ol is CC1COCC(C)N1CC(O)CO/N=C1\CC2CCC1(C)C2(C)C.
What is the InChIKey of 1-(3,5-dimethylmorpholin-4-yl)-3-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxypropan-2-ol?
The InChIKey is BMBCLFWHFTUOGN-LVZFUZTISA-N. The full InChI is InChI=1S/C19H34N2O3/c1-13-10-23-11-14(2)21(13)9-16(22)12-24-20-17-8-15-6-7-19(17,5)18(15,3)4/h13-16,22H,6-12H2,1-5H3/b20-17+.
What are the key properties of 1-(3,5-dimethylmorpholin-4-yl)-3-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxypropan-2-ol?
1-(3,5-dimethylmorpholin-4-yl)-3-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxypropan-2-ol has a molecular weight of 338.49 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylmorpholin-4-yl)-3-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxypropan-2-ol is sourced from PubChem (CID 10088525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).