6-(cyclopentylamino)-1,2,5,6,7,8-hexahydronaphthalene-1,2,5-triol

C15H23NO3 — CID 138682301

IUPAC6-(cyclopentylamino)-1,2,5,6,7,8-hexahydronaphthalene-1,2,5-triol
SMILESOC1C=CC2=C(CCC(NC3CCCC3)C2O)C1O
InChIInChI=1S/C15H23NO3/c17-13-8-6-10-11(15(13)19)5-7-12(14(10)18)16-9-3-1-2-4-9/h6,8-9,12-19H,1-5,7H2
InChIKeyPZPCFZFAQRTNHH-UHFFFAOYSA-N
MW265.35 g/mol
LogP0.63
Rot. Bonds2

About 6-(cyclopentylamino)-1,2,5,6,7,8-hexahydronaphthalene-1,2,5-triol

6-(cyclopentylamino)-1,2,5,6,7,8-hexahydronaphthalene-1,2,5-triol (PubChem CID 138682301) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 6-(cyclopentylamino)-1,2,5,6,7,8-hexahydronaphthalene-1,2,5-triol.

Molecular Properties

Compound Name6-(cyclopentylamino)-1,2,5,6,7,8-hexahydronaphthalene-1,2,5-triol
PubChem CID138682301
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name6-(cyclopentylamino)-1,2,5,6,7,8-hexahydronaphthalene-1,2,5-triol
SMILESOC1C=CC2=C(CCC(NC3CCCC3)C2O)C1O
InChIInChI=1S/C15H23NO3/c17-13-8-6-10-11(15(13)19)5-7-12(14(10)18)16-9-3-1-2-4-9/h6,8-9,12-19H,1-5,7H2
InChIKeyPZPCFZFAQRTNHH-UHFFFAOYSA-N
XLogP0.63
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylamino)-1,2,5,6,7,8-hexahydronaphthalene-1,2,5-triol?
The IUPAC name of 6-(cyclopentylamino)-1,2,5,6,7,8-hexahydronaphthalene-1,2,5-triol (CID 138682301) is 6-(cyclopentylamino)-1,2,5,6,7,8-hexahydronaphthalene-1,2,5-triol.
What is the SMILES notation for 6-(cyclopentylamino)-1,2,5,6,7,8-hexahydronaphthalene-1,2,5-triol?
The canonical SMILES for 6-(cyclopentylamino)-1,2,5,6,7,8-hexahydronaphthalene-1,2,5-triol is OC1C=CC2=C(CCC(NC3CCCC3)C2O)C1O.
What is the InChIKey of 6-(cyclopentylamino)-1,2,5,6,7,8-hexahydronaphthalene-1,2,5-triol?
The InChIKey is PZPCFZFAQRTNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c17-13-8-6-10-11(15(13)19)5-7-12(14(10)18)16-9-3-1-2-4-9/h6,8-9,12-19H,1-5,7H2.
What are the key properties of 6-(cyclopentylamino)-1,2,5,6,7,8-hexahydronaphthalene-1,2,5-triol?
6-(cyclopentylamino)-1,2,5,6,7,8-hexahydronaphthalene-1,2,5-triol has a molecular weight of 265.35 g/mol, XLogP of 0.63, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylamino)-1,2,5,6,7,8-hexahydronaphthalene-1,2,5-triol is sourced from PubChem (CID 138682301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).