6-[(dibutylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol

C16H27NO2 — CID 87695409

IUPAC6-[(dibutylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol
SMILESCCCCN(C=C1CC=CC(OC)=C1O)CCCC
InChIInChI=1S/C16H27NO2/c1-4-6-11-17(12-7-5-2)13-14-9-8-10-15(19-3)16(14)18/h8,10,13,18H,4-7,9,11-12H2,1-3H3
InChIKeyRFVFRNGISVPSJN-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.15
Rot. Bonds8

About 6-[(dibutylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol

6-[(dibutylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol (PubChem CID 87695409) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 6-[(dibutylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-[(dibutylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol
PubChem CID87695409
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name6-[(dibutylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol
SMILESCCCCN(C=C1CC=CC(OC)=C1O)CCCC
InChIInChI=1S/C16H27NO2/c1-4-6-11-17(12-7-5-2)13-14-9-8-10-15(19-3)16(14)18/h8,10,13,18H,4-7,9,11-12H2,1-3H3
InChIKeyRFVFRNGISVPSJN-UHFFFAOYSA-N
XLogP4.15
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(dibutylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-[(dibutylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol (CID 87695409) is 6-[(dibutylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-[(dibutylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-[(dibutylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol is CCCCN(C=C1CC=CC(OC)=C1O)CCCC.
What is the InChIKey of 6-[(dibutylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol?
The InChIKey is RFVFRNGISVPSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-6-11-17(12-7-5-2)13-14-9-8-10-15(19-3)16(14)18/h8,10,13,18H,4-7,9,11-12H2,1-3H3.
What are the key properties of 6-[(dibutylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol?
6-[(dibutylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol has a molecular weight of 265.40 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dibutylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 87695409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).