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

C14H23NO2 — CID 87695720

IUPAC6-[(dipropylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol
SMILESCCCN(C=C1CC=CC(OC)=C1O)CCC
InChIInChI=1S/C14H23NO2/c1-4-9-15(10-5-2)11-12-7-6-8-13(17-3)14(12)16/h6,8,11,16H,4-5,7,9-10H2,1-3H3
InChIKeyGMRXLMTYEUSSDK-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.37
Rot. Bonds6

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

6-[(dipropylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol (PubChem CID 87695720) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 6-[(dipropylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-[(dipropylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol
PubChem CID87695720
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name6-[(dipropylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol
SMILESCCCN(C=C1CC=CC(OC)=C1O)CCC
InChIInChI=1S/C14H23NO2/c1-4-9-15(10-5-2)11-12-7-6-8-13(17-3)14(12)16/h6,8,11,16H,4-5,7,9-10H2,1-3H3
InChIKeyGMRXLMTYEUSSDK-UHFFFAOYSA-N
XLogP3.37
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(dipropylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(dipropylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-[(dipropylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol (CID 87695720) is 6-[(dipropylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-[(dipropylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-[(dipropylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol is CCCN(C=C1CC=CC(OC)=C1O)CCC.
What is the InChIKey of 6-[(dipropylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol?
The InChIKey is GMRXLMTYEUSSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-9-15(10-5-2)11-12-7-6-8-13(17-3)14(12)16/h6,8,11,16H,4-5,7,9-10H2,1-3H3.
What are the key properties of 6-[(dipropylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol?
6-[(dipropylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol has a molecular weight of 237.34 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dipropylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 87695720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).