(E)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine

C19H26N2O — CID 6338278

IUPAC(E)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine
SMILESCN1C2CCC1CC(O/N=C1\CCCCc3ccccc31)C2
InChIInChI=1S/C19H26N2O/c1-21-15-10-11-16(21)13-17(12-15)22-20-19-9-5-3-7-14-6-2-4-8-18(14)19/h2,4,6,8,15-17H,3,5,7,9-13H2,1H3/b20-19+
InChIKeyBMDOCODTUYXWAL-FMQUCBEESA-N
MW298.43 g/mol
LogP3.76
Rot. Bonds2

About (E)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine

(E)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine (PubChem CID 6338278) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is (E)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine.

Molecular Properties

Compound Name(E)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine
PubChem CID6338278
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name(E)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine
SMILESCN1C2CCC1CC(O/N=C1\CCCCc3ccccc31)C2
InChIInChI=1S/C19H26N2O/c1-21-15-10-11-16(21)13-17(12-15)22-20-19-9-5-3-7-14-6-2-4-8-18(14)19/h2,4,6,8,15-17H,3,5,7,9-13H2,1H3/b20-19+
InChIKeyBMDOCODTUYXWAL-FMQUCBEESA-N
XLogP3.76
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.76
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 (E)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine?
The IUPAC name of (E)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine (CID 6338278) is (E)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine.
What is the SMILES notation for (E)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine?
The canonical SMILES for (E)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine is CN1C2CCC1CC(O/N=C1\CCCCc3ccccc31)C2.
What is the InChIKey of (E)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine?
The InChIKey is BMDOCODTUYXWAL-FMQUCBEESA-N. The full InChI is InChI=1S/C19H26N2O/c1-21-15-10-11-16(21)13-17(12-15)22-20-19-9-5-3-7-14-6-2-4-8-18(14)19/h2,4,6,8,15-17H,3,5,7,9-13H2,1H3/b20-19+.
What are the key properties of (E)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine?
(E)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine has a molecular weight of 298.43 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine is sourced from PubChem (CID 6338278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).