1-[(dicyclohexylamino)methyl]pyrrole-2,5-diol

C17H28N2O2 — CID 90710890

IUPAC1-[(dicyclohexylamino)methyl]pyrrole-2,5-diol
SMILESOc1ccc(O)n1CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H28N2O2/c20-16-11-12-17(21)19(16)13-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h11-12,14-15,20-21H,1-10,13H2
InChIKeyBVNROTWKMXQJTE-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.82
Rot. Bonds4

About 1-[(dicyclohexylamino)methyl]pyrrole-2,5-diol

1-[(dicyclohexylamino)methyl]pyrrole-2,5-diol (PubChem CID 90710890) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[(dicyclohexylamino)methyl]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[(dicyclohexylamino)methyl]pyrrole-2,5-diol
PubChem CID90710890
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[(dicyclohexylamino)methyl]pyrrole-2,5-diol
SMILESOc1ccc(O)n1CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H28N2O2/c20-16-11-12-17(21)19(16)13-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h11-12,14-15,20-21H,1-10,13H2
InChIKeyBVNROTWKMXQJTE-UHFFFAOYSA-N
XLogP3.82
TPSA48.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(dicyclohexylamino)methyl]pyrrole-2,5-diol with MolForge

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

Launch Full Analysis

Related Compounds

1-[(2,5-Dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-diol
CID 54124926
1-Pentylpyrrole-2,5-diol
CID 54382624
3-(2,5-Dihydroxypyrrol-1-yl)propyl-ethyl-dimethylazanium
CID 53638599
1-Heptylpyrrole-2,5-diol
CID 53681999
1-[6-(2,5-Dihydroxypyrrol-1-yl)hexyl]pyrrole-2,5-diol
CID 53695294
1-Octadecylpyrrole-2,5-diol
CID 53699736
3-(2,5-Dihydroxypyrrol-1-yl)propyl-hexadecyl-dimethylazanium
CID 53718629
1-Butan-2-ylpyrrole-2,5-diol
CID 53733042
1-[3-(Diethylamino)propyl]pyrrole-2,5-diol
CID 53794744
1-[1-(2,5-Dihydroxypyrrol-1-yl)propyl]pyrrole-2,5-diol
CID 53807427
1-(6-Hydroxyhexyl)pyrrole-2,5-diol
CID 53902560
1-[10-(Dimethylamino)decyl]pyrrole-2,5-diol
CID 53913410

Frequently Asked Questions

What is the IUPAC name of 1-[(dicyclohexylamino)methyl]pyrrole-2,5-diol?
The IUPAC name of 1-[(dicyclohexylamino)methyl]pyrrole-2,5-diol (CID 90710890) is 1-[(dicyclohexylamino)methyl]pyrrole-2,5-diol.
What is the SMILES notation for 1-[(dicyclohexylamino)methyl]pyrrole-2,5-diol?
The canonical SMILES for 1-[(dicyclohexylamino)methyl]pyrrole-2,5-diol is Oc1ccc(O)n1CN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-[(dicyclohexylamino)methyl]pyrrole-2,5-diol?
The InChIKey is BVNROTWKMXQJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c20-16-11-12-17(21)19(16)13-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h11-12,14-15,20-21H,1-10,13H2.
What are the key properties of 1-[(dicyclohexylamino)methyl]pyrrole-2,5-diol?
1-[(dicyclohexylamino)methyl]pyrrole-2,5-diol has a molecular weight of 292.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dicyclohexylamino)methyl]pyrrole-2,5-diol is sourced from PubChem (CID 90710890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).