1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol

C18H33NO2 — CID 78044120

IUPAC1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol
SMILESCCN1CCCCCC=CC(OC)C(O)C(C)C=C(C)C1
InChIInChI=1S/C18H33NO2/c1-5-19-12-10-8-6-7-9-11-17(21-4)18(20)16(3)13-15(2)14-19/h9,11,13,16-18,20H,5-8,10,12,14H2,1-4H3
InChIKeyFBGOFIYMLLJFLU-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.40
Rot. Bonds2

About 1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol

1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol (PubChem CID 78044120) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol.

Molecular Properties

Compound Name1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol
PubChem CID78044120
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol
SMILESCCN1CCCCCC=CC(OC)C(O)C(C)C=C(C)C1
InChIInChI=1S/C18H33NO2/c1-5-19-12-10-8-6-7-9-11-17(21-4)18(20)16(3)13-15(2)14-19/h9,11,13,16-18,20H,5-8,10,12,14H2,1-4H3
InChIKeyFBGOFIYMLLJFLU-UHFFFAOYSA-N
XLogP3.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7E,9S,10S,11R,12Z)-10-hydroxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 71236087
(7E,9S,10S,11R,12Z)-9-methoxy-4,11,13-trimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol
CID 71236090
(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol
CID 71236092
1-[(3Z,5R,6S,7S,8E)-6-hydroxy-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-1-yl]ethanone
CID 71236097
(7E,9S,10S,11R,12Z)-9-methoxy-5,11,13-trimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol
CID 71236102
(3Z,5R,6S,7S,8E)-1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol
CID 71236103
(3Z,5R,6S,7S,8E)-1-ethyl-3,5-dimethyl-1-azacyclotetradeca-3,8-diene-6,7-diol
CID 71236104
(3Z,5R,6S,7S,8E)-7-methoxy-1,3,5-trimethyl-1-azacyclotetradeca-3,8-dien-6-ol
CID 71236125
10-Hydroxy-9-methoxy-1,11,13-trimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 78044107
9-Methoxy-4,11,13-trimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol
CID 78044109
7-Methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol
CID 78044110
1-(6-Hydroxy-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-1-yl)ethanone
CID 78044114

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol?
The IUPAC name of 1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol (CID 78044120) is 1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol.
What is the SMILES notation for 1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol?
The canonical SMILES for 1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol is CCN1CCCCCC=CC(OC)C(O)C(C)C=C(C)C1.
What is the InChIKey of 1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol?
The InChIKey is FBGOFIYMLLJFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-5-19-12-10-8-6-7-9-11-17(21-4)18(20)16(3)13-15(2)14-19/h9,11,13,16-18,20H,5-8,10,12,14H2,1-4H3.
What are the key properties of 1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol?
1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol has a molecular weight of 295.47 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol is sourced from PubChem (CID 78044120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).