6-[(dibutylamino)methylidene]cyclohexa-1,3-diene-1,2-diol

C15H25NO2 — CID 87695425

IUPAC6-[(dibutylamino)methylidene]cyclohexa-1,3-diene-1,2-diol
SMILESCCCCN(C=C1CC=CC(O)=C1O)CCCC
InChIInChI=1S/C15H25NO2/c1-3-5-10-16(11-6-4-2)12-13-8-7-9-14(17)15(13)18/h7,9,12,17-18H,3-6,8,10-11H2,1-2H3
InChIKeyYKUWBEXYVGHKOQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.06
Rot. Bonds7

About 6-[(dibutylamino)methylidene]cyclohexa-1,3-diene-1,2-diol

6-[(dibutylamino)methylidene]cyclohexa-1,3-diene-1,2-diol (PubChem CID 87695425) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 6-[(dibutylamino)methylidene]cyclohexa-1,3-diene-1,2-diol.

Molecular Properties

Compound Name6-[(dibutylamino)methylidene]cyclohexa-1,3-diene-1,2-diol
PubChem CID87695425
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name6-[(dibutylamino)methylidene]cyclohexa-1,3-diene-1,2-diol
SMILESCCCCN(C=C1CC=CC(O)=C1O)CCCC
InChIInChI=1S/C15H25NO2/c1-3-5-10-16(11-6-4-2)12-13-8-7-9-14(17)15(13)18/h7,9,12,17-18H,3-6,8,10-11H2,1-2H3
InChIKeyYKUWBEXYVGHKOQ-UHFFFAOYSA-N
XLogP4.06
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(dibutylamino)methylidene]cyclohexa-1,3-diene-1,2-diol?
The IUPAC name of 6-[(dibutylamino)methylidene]cyclohexa-1,3-diene-1,2-diol (CID 87695425) is 6-[(dibutylamino)methylidene]cyclohexa-1,3-diene-1,2-diol.
What is the SMILES notation for 6-[(dibutylamino)methylidene]cyclohexa-1,3-diene-1,2-diol?
The canonical SMILES for 6-[(dibutylamino)methylidene]cyclohexa-1,3-diene-1,2-diol is CCCCN(C=C1CC=CC(O)=C1O)CCCC.
What is the InChIKey of 6-[(dibutylamino)methylidene]cyclohexa-1,3-diene-1,2-diol?
The InChIKey is YKUWBEXYVGHKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-5-10-16(11-6-4-2)12-13-8-7-9-14(17)15(13)18/h7,9,12,17-18H,3-6,8,10-11H2,1-2H3.
What are the key properties of 6-[(dibutylamino)methylidene]cyclohexa-1,3-diene-1,2-diol?
6-[(dibutylamino)methylidene]cyclohexa-1,3-diene-1,2-diol has a molecular weight of 251.37 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dibutylamino)methylidene]cyclohexa-1,3-diene-1,2-diol is sourced from PubChem (CID 87695425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).