6-(3-cyclohexylpropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol

C19H29NO3 — CID 21451172

IUPAC6-(3-cyclohexylpropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol
SMILESOc1ccc2c(c1O)CCC(NCCCC1CCCCC1)C2O
InChIInChI=1S/C19H29NO3/c21-17-11-9-14-15(19(17)23)8-10-16(18(14)22)20-12-4-7-13-5-2-1-3-6-13/h9,11,13,16,18,20-23H,1-8,10,12H2
InChIKeySNODKFUWWKVFFB-UHFFFAOYSA-N
MW319.44 g/mol
LogP3.40
Rot. Bonds5

About 6-(3-cyclohexylpropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol

6-(3-cyclohexylpropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol (PubChem CID 21451172) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 6-(3-cyclohexylpropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol.

Molecular Properties

Compound Name6-(3-cyclohexylpropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol
PubChem CID21451172
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name6-(3-cyclohexylpropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol
SMILESOc1ccc2c(c1O)CCC(NCCCC1CCCCC1)C2O
InChIInChI=1S/C19H29NO3/c21-17-11-9-14-15(19(17)23)8-10-16(18(14)22)20-12-4-7-13-5-2-1-3-6-13/h9,11,13,16,18,20-23H,1-8,10,12H2
InChIKeySNODKFUWWKVFFB-UHFFFAOYSA-N
XLogP3.40
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 6-(3-cyclohexylpropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol 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-(3-cyclohexylpropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol?
The IUPAC name of 6-(3-cyclohexylpropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol (CID 21451172) is 6-(3-cyclohexylpropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol.
What is the SMILES notation for 6-(3-cyclohexylpropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol?
The canonical SMILES for 6-(3-cyclohexylpropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol is Oc1ccc2c(c1O)CCC(NCCCC1CCCCC1)C2O.
What is the InChIKey of 6-(3-cyclohexylpropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol?
The InChIKey is SNODKFUWWKVFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c21-17-11-9-14-15(19(17)23)8-10-16(18(14)22)20-12-4-7-13-5-2-1-3-6-13/h9,11,13,16,18,20-23H,1-8,10,12H2.
What are the key properties of 6-(3-cyclohexylpropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol?
6-(3-cyclohexylpropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol has a molecular weight of 319.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclohexylpropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol is sourced from PubChem (CID 21451172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).