(1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine

C15H15NO — CID 57034688

IUPAC(1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
SMILESNC1CC=c2cccc/c2=C2\C=CC=CC2O1
InChIInChI=1S/C15H15NO/c16-15-10-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)17-15/h1-9,14-15H,10,16H2/b11-9?,13-12-
InChIKeyDPNPZEZBGQKTOC-FBZODJRUSA-N
MW225.29 g/mol
LogP0.82
Rot. Bonds

About (1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine

(1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine (PubChem CID 57034688) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is (1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine.

Molecular Properties

Compound Name(1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
PubChem CID57034688
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name(1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
SMILESNC1CC=c2cccc/c2=C2\C=CC=CC2O1
InChIInChI=1S/C15H15NO/c16-15-10-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)17-15/h1-9,14-15H,10,16H2/b11-9?,13-12-
InChIKeyDPNPZEZBGQKTOC-FBZODJRUSA-N
XLogP0.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine with MolForge

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

Launch Full Analysis

Related Compounds

(4-Methoxycyclohexa-1,5-dien-1-yl)methanamine
CID 55289776
(1Z)-N,5-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 56987040
(1Z)-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 57047502
(1Z)-N,3-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 57191539
2-[(4R)-4-methoxycyclohexa-1,5-dien-1-yl]ethanamine
CID 89473311
3-Cyclohexa-2,4-dien-1-yloxypropan-1-amine
CID 124036630
5-methylidene-2H-pyran-6-amine
CID 141730619
2-(6H-benzo[7]annulen-6-yloxy)ethanamine
CID 142833231
2-(Cyclohexa-1,5-dien-1-ylmethoxy)ethanamine
CID 143110185
3-(Cyclohexa-1,5-dien-1-ylmethoxy)propan-1-amine
CID 143847881
[(2R,5Z)-5-ethylidene-2-methyl-2H-pyran-6-yl]methanamine
CID 155402790
6,7-dihydro-2H-chromen-2-amine
CID 155471990

Frequently Asked Questions

What is the IUPAC name of (1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
The IUPAC name of (1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine (CID 57034688) is (1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine.
What is the SMILES notation for (1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
The canonical SMILES for (1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine is NC1CC=c2cccc/c2=C2\C=CC=CC2O1.
What is the InChIKey of (1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
The InChIKey is DPNPZEZBGQKTOC-FBZODJRUSA-N. The full InChI is InChI=1S/C15H15NO/c16-15-10-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)17-15/h1-9,14-15H,10,16H2/b11-9?,13-12-.
What are the key properties of (1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
(1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine has a molecular weight of 225.29 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine is sourced from PubChem (CID 57034688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).