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

C17H19NO — CID 57191539

IUPAC(1Z)-N,3-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
SMILESCNC1CC=c2cccc/c2=C2\C(C)=CC=CC2O1
InChIInChI=1S/C17H19NO/c1-12-6-5-9-15-17(12)14-8-4-3-7-13(14)10-11-16(18-2)19-15/h3-10,15-16,18H,11H2,1-2H3/b13-10?,17-14-
InChIKeyBIZFIPDBGQVHNU-ZDVAAWOZSA-N
MW253.35 g/mol
LogP1.47
Rot. Bonds1

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

(1Z)-N,3-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine (PubChem CID 57191539) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (1Z)-N,3-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine.

Molecular Properties

Compound Name(1Z)-N,3-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
PubChem CID57191539
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(1Z)-N,3-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
SMILESCNC1CC=c2cccc/c2=C2\C(C)=CC=CC2O1
InChIInChI=1S/C17H19NO/c1-12-6-5-9-15-17(12)14-8-4-3-7-13(14)10-11-16(18-2)19-15/h3-10,15-16,18H,11H2,1-2H3/b13-10?,17-14-
InChIKeyBIZFIPDBGQVHNU-ZDVAAWOZSA-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 ≤ 500253.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

(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,N-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 56994850
(1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 57034688
(1Z)-5-chloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 57035214
(1Z)-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 57047502
(1Z)-5,13-dichloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 57144711
(Z,2E)-5-[(1R)-cyclohexa-2,4-dien-1-yl]oxy-2-ethylidene-N-methylpent-3-en-1-amine
CID 89519127
2-(4-methoxycyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 143844490
2-(4aH-benzo[c]chromen-6-yl)-N-methylethanamine
CID 153747952
3-(4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine
CID 153747953

Frequently Asked Questions

What is the IUPAC name of (1Z)-N,3-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
The IUPAC name of (1Z)-N,3-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine (CID 57191539) is (1Z)-N,3-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,3-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
The canonical SMILES for (1Z)-N,3-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine is CNC1CC=c2cccc/c2=C2\C(C)=CC=CC2O1.
What is the InChIKey of (1Z)-N,3-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
The InChIKey is BIZFIPDBGQVHNU-ZDVAAWOZSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-6-5-9-15-17(12)14-8-4-3-7-13(14)10-11-16(18-2)19-15/h3-10,15-16,18H,11H2,1-2H3/b13-10?,17-14-.
What are the key properties of (1Z)-N,3-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
(1Z)-N,3-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine has a molecular weight of 253.35 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,3-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine is sourced from PubChem (CID 57191539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).