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

C17H19NO — CID 56987040

IUPAC(1Z)-N,5-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
SMILESCNC1CC=c2cccc/c2=C2\C=CC(C)=CC2O1
InChIInChI=1S/C17H19NO/c1-12-7-9-15-14-6-4-3-5-13(14)8-10-17(18-2)19-16(15)11-12/h3-9,11,16-18H,10H2,1-2H3/b13-8?,15-14-
InChIKeyMEVODDNSSJAJBJ-HYWAPOMXSA-N
MW253.34 g/mol
LogP1.47
Rot. Bonds1

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

(1Z)-N,5-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine (PubChem CID 56987040) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is (1Z)-N,5-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine.

Molecular Properties

Compound Name(1Z)-N,5-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
PubChem CID56987040
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name(1Z)-N,5-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
SMILESCNC1CC=c2cccc/c2=C2\C=CC(C)=CC2O1
InChIInChI=1S/C17H19NO/c1-12-7-9-15-14-6-4-3-5-13(14)8-10-17(18-2)19-16(15)11-12/h3-9,11,16-18H,10H2,1-2H3/b13-8?,15-14-
InChIKeyMEVODDNSSJAJBJ-HYWAPOMXSA-N
XLogP1.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1Z)-N,5-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
The IUPAC name of (1Z)-N,5-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine (CID 56987040) is (1Z)-N,5-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine.
What is the SMILES notation for (1Z)-N,5-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
The canonical SMILES for (1Z)-N,5-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine is CNC1CC=c2cccc/c2=C2\C=CC(C)=CC2O1.
What is the InChIKey of (1Z)-N,5-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
The InChIKey is MEVODDNSSJAJBJ-HYWAPOMXSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-7-9-15-14-6-4-3-5-13(14)8-10-17(18-2)19-16(15)11-12/h3-9,11,16-18H,10H2,1-2H3/b13-8?,15-14-.
What are the key properties of (1Z)-N,5-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
(1Z)-N,5-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine has a molecular weight of 253.34 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N,5-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine is sourced from PubChem (CID 56987040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).