(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene

C15H27NO — CID 144515525

IUPAC(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
SMILESCOC1/C=C/CCCCCNC/C(C)=C\CC1
InChIInChI=1S/C15H27NO/c1-14-9-8-11-15(17-2)10-6-4-3-5-7-12-16-13-14/h6,9-10,15-16H,3-5,7-8,11-13H2,1-2H3/b10-6+,14-9-
InChIKeyLJVHKIVCMKFWFW-QIXAWMBPSA-N
MW237.39 g/mol
LogP3.45
Rot. Bonds1

About (3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene

(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene (PubChem CID 144515525) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene.

Molecular Properties

Compound Name(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
PubChem CID144515525
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
SMILESCOC1/C=C/CCCCCNC/C(C)=C\CC1
InChIInChI=1S/C15H27NO/c1-14-9-8-11-15(17-2)10-6-4-3-5-7-12-16-13-14/h6,9-10,15-16H,3-5,7-8,11-13H2,1-2H3/b10-6+,14-9-
InChIKeyLJVHKIVCMKFWFW-QIXAWMBPSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 58451778
3-cyclohexa-1,5-dien-1-yl-3-methoxy-N-methylpropan-1-amine
CID 68082938
N-[2-[4-(methoxymethyl)cyclohepta-1,3,6-trien-1-yl]ethyl]propan-1-amine
CID 132240269
(Z,2E)-2-ethylidene-5-methoxy-N-pentylpent-3-en-1-amine
CID 135225387
N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]octan-1-amine
CID 138519256
ethane;(2Z)-6-methoxy-2-methyl-N-octa-1,7-dien-2-ylocta-2,7-dien-1-amine;prop-1-ene
CID 143159488
(7E,12Z)-9-methoxy-13-methyl-1-oxa-4-azacyclotetradeca-7,12-diene
CID 144515516
(3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
CID 144515518
(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-diene
CID 144515548
(3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene
CID 144515557
(Z,4R)-N-ethyl-4-methoxyhex-2-en-1-amine
CID 145602396
3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine
CID 146300663

Frequently Asked Questions

What is the IUPAC name of (3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene?
The IUPAC name of (3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene (CID 144515525) is (3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene.
What is the SMILES notation for (3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene?
The canonical SMILES for (3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene is COC1/C=C/CCCCCNC/C(C)=C\CC1.
What is the InChIKey of (3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene?
The InChIKey is LJVHKIVCMKFWFW-QIXAWMBPSA-N. The full InChI is InChI=1S/C15H27NO/c1-14-9-8-11-15(17-2)10-6-4-3-5-7-12-16-13-14/h6,9-10,15-16H,3-5,7-8,11-13H2,1-2H3/b10-6+,14-9-.
What are the key properties of (3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene?
(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene has a molecular weight of 237.39 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene is sourced from PubChem (CID 144515525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).