(13E)-4-methoxy-1,10-dimethyl-13-propylidene-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

C18H25NO — CID 90153444

IUPAC(13E)-4-methoxy-1,10-dimethyl-13-propylidene-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESCC/C=C1/C2Cc3ccc(OC)cc3C1(C)CCN2C
InChIInChI=1S/C18H25NO/c1-5-6-15-17-11-13-7-8-14(20-4)12-16(13)18(15,2)9-10-19(17)3/h6-8,12,17H,5,9-11H2,1-4H3/b15-6-
InChIKeyMOVQLERVLSBDQV-UUASQNMZSA-N
MW271.40 g/mol
LogP3.55
Rot. Bonds2

About (13E)-4-methoxy-1,10-dimethyl-13-propylidene-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

(13E)-4-methoxy-1,10-dimethyl-13-propylidene-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (PubChem CID 90153444) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (13E)-4-methoxy-1,10-dimethyl-13-propylidene-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.

Molecular Properties

Compound Name(13E)-4-methoxy-1,10-dimethyl-13-propylidene-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
PubChem CID90153444
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(13E)-4-methoxy-1,10-dimethyl-13-propylidene-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESCC/C=C1/C2Cc3ccc(OC)cc3C1(C)CCN2C
InChIInChI=1S/C18H25NO/c1-5-6-15-17-11-13-7-8-14(20-4)12-16(13)18(15,2)9-10-19(17)3/h6-8,12,17H,5,9-11H2,1-4H3/b15-6-
InChIKeyMOVQLERVLSBDQV-UUASQNMZSA-N
XLogP3.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,9R,13E)-4-methoxy-13-(methoxymethylidene)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 118507305
N,N-diethyl-2-[(4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-ylidene)amino]oxyethanamine
CID 90123180
(1S,13R)-1,13-diethyl-4-methoxy-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 90679103
(1R,9R,10S)-4-methoxy-12,17-dimethyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 118583905
(1S,9R,13R)-1-ethyl-4-methoxy-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 71167641
4-methoxy-10,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-ol
CID 90123000
(1S,9R,13S)-4-methoxy-1,10-dimethyl-N-propyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine
CID 126665191
4,4a-diethyl-6-methoxy-1-methyl-3,4,9,9a-tetrahydro-2H-indeno[2,1-b]pyridine
CID 623527
4'-methoxy-17'-methylspiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraene]
CID 614768
4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 3008
(1S,9R,10R)-4-methoxy-12,13,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,12-tetraene
CID 98522553
7-methoxy-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinoline
CID 21436183

Frequently Asked Questions

What is the IUPAC name of (13E)-4-methoxy-1,10-dimethyl-13-propylidene-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The IUPAC name of (13E)-4-methoxy-1,10-dimethyl-13-propylidene-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (CID 90153444) is (13E)-4-methoxy-1,10-dimethyl-13-propylidene-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.
What is the SMILES notation for (13E)-4-methoxy-1,10-dimethyl-13-propylidene-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The canonical SMILES for (13E)-4-methoxy-1,10-dimethyl-13-propylidene-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is CC/C=C1/C2Cc3ccc(OC)cc3C1(C)CCN2C.
What is the InChIKey of (13E)-4-methoxy-1,10-dimethyl-13-propylidene-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The InChIKey is MOVQLERVLSBDQV-UUASQNMZSA-N. The full InChI is InChI=1S/C18H25NO/c1-5-6-15-17-11-13-7-8-14(20-4)12-16(13)18(15,2)9-10-19(17)3/h6-8,12,17H,5,9-11H2,1-4H3/b15-6-.
What are the key properties of (13E)-4-methoxy-1,10-dimethyl-13-propylidene-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
(13E)-4-methoxy-1,10-dimethyl-13-propylidene-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene has a molecular weight of 271.40 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (13E)-4-methoxy-1,10-dimethyl-13-propylidene-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is sourced from PubChem (CID 90153444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).