N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-2-imine

C24H28N2O — CID 171986573

IUPACN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-2-imine
SMILESCN1C2CCC1CC(ON=C1c3ccccc3CCCc3ccccc31)C2
InChIInChI=1S/C24H28N2O/c1-26-19-13-14-20(26)16-21(15-19)27-25-24-22-11-4-2-7-17(22)9-6-10-18-8-3-5-12-23(18)24/h2-5,7-8,11-12,19-21H,6,9-10,13-16H2,1H3
InChIKeyCEOIEXHAUCRXGY-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.57
Rot. Bonds2

About N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-2-imine

N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-2-imine (PubChem CID 171986573) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-2-imine.

Molecular Properties

Compound NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-2-imine
PubChem CID171986573
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-2-imine
SMILESCN1C2CCC1CC(ON=C1c3ccccc3CCCc3ccccc31)C2
InChIInChI=1S/C24H28N2O/c1-26-19-13-14-20(26)16-21(15-19)27-25-24-22-11-4-2-7-17(22)9-6-10-18-8-3-5-12-23(18)24/h2-5,7-8,11-12,19-21H,6,9-10,13-16H2,1H3
InChIKeyCEOIEXHAUCRXGY-UHFFFAOYSA-N
XLogP4.57
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-2-imine with MolForge

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Related Compounds

8-methyl-8-azabicyclo[3.2.1]octan-3-one O-benzhydryloxime
CID 3440230
5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-, O-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)oxime,hydrochloride, hydrate (2:2:1), endo-
CID 9578728
8-Cyclohexyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 134787872
(E)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine
CID 6338278
5-Ethyl-3-(2-methylphenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole
CID 155900955
N-(3-piperidin-1-ylpropoxy)tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaen-11-imine
CID 21414229
N-(2-piperidin-1-ylethoxy)tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-2-imine
CID 21501640
8-methyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-8-azabicyclo[3.2.1]octan-3-imine
CID 141422077
1-methyl-4-piperidinone O-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxime
CID 171986168

Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-2-imine?
The IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-2-imine (CID 171986573) is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-2-imine.
What is the SMILES notation for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-2-imine?
The canonical SMILES for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-2-imine is CN1C2CCC1CC(ON=C1c3ccccc3CCCc3ccccc31)C2.
What is the InChIKey of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-2-imine?
The InChIKey is CEOIEXHAUCRXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-26-19-13-14-20(26)16-21(15-19)27-25-24-22-11-4-2-7-17(22)9-6-10-18-8-3-5-12-23(18)24/h2-5,7-8,11-12,19-21H,6,9-10,13-16H2,1H3.
What are the key properties of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-2-imine?
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-2-imine has a molecular weight of 360.50 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-2-imine is sourced from PubChem (CID 171986573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).