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

C16H29NO2 — CID 78044110

IUPAC7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol
SMILESCOC1C=CCCCCCNCC(C)=CC(C)C1O
InChIInChI=1S/C16H29NO2/c1-13-11-14(2)16(18)15(19-3)9-7-5-4-6-8-10-17-12-13/h7,9,11,14-18H,4-6,8,10,12H2,1-3H3
InChIKeyMZGFCDLPIQYKJZ-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.66
Rot. Bonds1

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

7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol (PubChem CID 78044110) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol.

Molecular Properties

Compound Name7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol
PubChem CID78044110
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol
SMILESCOC1C=CCCCCCNCC(C)=CC(C)C1O
InChIInChI=1S/C16H29NO2/c1-13-11-14(2)16(18)15(19-3)9-7-5-4-6-8-10-17-12-13/h7,9,11,14-18H,4-6,8,10,12H2,1-3H3
InChIKeyMZGFCDLPIQYKJZ-UHFFFAOYSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
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)-9-methoxy-11,13-dimethyl-2-(trifluoromethyl)-1-azacyclotetradeca-7,12-diene-2,10-diol
CID 58488357
(7E,10S,11R,12Z)-9-methoxy-11,13-dimethyl-2-(trifluoromethyl)-1-azacyclotetradeca-7,12-diene-2,10-diol
CID 68223998
(9S,10S,11R)-9-methoxy-11,13-dimethyl-2-(trifluoromethyl)-1-azacyclotetradeca-7,12-diene-2,10-diol
CID 123987855
(7E,9S,10S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 11300518
(7E,9S,10S,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 58516352
(7E,9S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 58811357
(7E,10S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-azacyclotetradeca-7,12-dien-2-one
CID 67992691
(1S,3E,12E,14S)-7-amino-14-methoxy-2,4-dimethylcyclotetradeca-3,12-dien-1-ol
CID 71227672
(1S,2R,3Z,12E,14S)-7-amino-14-methoxy-2,4-dimethylcyclotetradeca-3,12-dien-1-ol
CID 71227673
(7E,9S,10S,11R,12Z)-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol
CID 71236048
(1S,2R,3Z,7S,12E,14S)-7-amino-14-methoxy-2,4-dimethylcyclotetradeca-3,12-dien-1-ol
CID 71236067
(1S,2R,3Z,7R,12E,14S)-7-amino-14-methoxy-2,4-dimethylcyclotetradeca-3,12-dien-1-ol
CID 71236068

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol?
The IUPAC name of 7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol (CID 78044110) is 7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol.
What is the SMILES notation for 7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol?
The canonical SMILES for 7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol is COC1C=CCCCCCNCC(C)=CC(C)C1O.
What is the InChIKey of 7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol?
The InChIKey is MZGFCDLPIQYKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-13-11-14(2)16(18)15(19-3)9-7-5-4-6-8-10-17-12-13/h7,9,11,14-18H,4-6,8,10,12H2,1-3H3.
What are the key properties of 7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol?
7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol has a molecular weight of 267.41 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol is sourced from PubChem (CID 78044110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).