(7E,12Z)-9-methoxy-5,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-diene

C15H27NO2 — CID 144515537

IUPAC(7E,12Z)-9-methoxy-5,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-diene
SMILESCOC1/C=C/CN(C)CCCOC/C(C)=C\CC1
InChIInChI=1S/C15H27NO2/c1-14-7-4-8-15(17-3)9-5-10-16(2)11-6-12-18-13-14/h5,7,9,15H,4,6,8,10-13H2,1-3H3/b9-5+,14-7-
InChIKeyFIPLIJGBYFUOJC-NLXGQYKLSA-N
MW253.39 g/mol
LogP2.64
Rot. Bonds1

About (7E,12Z)-9-methoxy-5,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-diene

(7E,12Z)-9-methoxy-5,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-diene (PubChem CID 144515537) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (7E,12Z)-9-methoxy-5,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-diene.

Molecular Properties

Compound Name(7E,12Z)-9-methoxy-5,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-diene
PubChem CID144515537
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(7E,12Z)-9-methoxy-5,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-diene
SMILESCOC1/C=C/CN(C)CCCOC/C(C)=C\CC1
InChIInChI=1S/C15H27NO2/c1-14-7-4-8-15(17-3)9-5-10-16(2)11-6-12-18-13-14/h5,7,9,15H,4,6,8,10-13H2,1-3H3/b9-5+,14-7-
InChIKeyFIPLIJGBYFUOJC-NLXGQYKLSA-N
XLogP2.64
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (7E,12Z)-9-methoxy-5,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-diene 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-Allyl-2,5-dihydrofuran-2-yl)diethylamine
CID 129793090
(4-Allyl-2,5-dihydrofuran-2-yl)dibutylamine
CID 129793329
(4-Allyl-2,5-dihydrofuran-2-yl)dipropylamine
CID 129793601
4-(2-methylprop-2-enyl)-N,N-dipropyl-2,5-dihydrofuran-2-amine
CID 154716956
1-methyl-4-(propan-2-yloxymethyl)-3,6-dihydro-2H-pyridine
CID 14442220
N,N-dimethyl-3-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine
CID 139501884
2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N,N-dimethylethanamine
CID 144515476
(3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
CID 144515518
(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene
CID 144515531
(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-diene
CID 144515548
1-[(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl]ethanone
CID 144515554
(3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene
CID 144515557

Frequently Asked Questions

What is the IUPAC name of (7E,12Z)-9-methoxy-5,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-diene?
The IUPAC name of (7E,12Z)-9-methoxy-5,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-diene (CID 144515537) is (7E,12Z)-9-methoxy-5,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-diene.
What is the SMILES notation for (7E,12Z)-9-methoxy-5,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-diene?
The canonical SMILES for (7E,12Z)-9-methoxy-5,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-diene is COC1/C=C/CN(C)CCCOC/C(C)=C\CC1.
What is the InChIKey of (7E,12Z)-9-methoxy-5,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-diene?
The InChIKey is FIPLIJGBYFUOJC-NLXGQYKLSA-N. The full InChI is InChI=1S/C15H27NO2/c1-14-7-4-8-15(17-3)9-5-10-16(2)11-6-12-18-13-14/h5,7,9,15H,4,6,8,10-13H2,1-3H3/b9-5+,14-7-.
What are the key properties of (7E,12Z)-9-methoxy-5,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-diene?
(7E,12Z)-9-methoxy-5,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-diene has a molecular weight of 253.39 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,12Z)-9-methoxy-5,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-diene is sourced from PubChem (CID 144515537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).