(1R)-1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-2,3-dihydroinden-1-ol

C18H25NO3 — CID 99703085

IUPAC(1R)-1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-2,3-dihydroinden-1-ol
SMILESO[C@]1(CNC2CCC3(CC2)OCCO3)CCc2ccccc21
InChIInChI=1S/C18H25NO3/c20-17(8-5-14-3-1-2-4-16(14)17)13-19-15-6-9-18(10-7-15)21-11-12-22-18/h1-4,15,19-20H,5-13H2/t17-/m0/s1
InChIKeyUAESOKFVEIKZPM-KRWDZBQOSA-N
MW303.40 g/mol
LogP2.10
Rot. Bonds3

About (1R)-1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-2,3-dihydroinden-1-ol

(1R)-1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-2,3-dihydroinden-1-ol (PubChem CID 99703085) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (1R)-1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name(1R)-1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-2,3-dihydroinden-1-ol
PubChem CID99703085
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(1R)-1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-2,3-dihydroinden-1-ol
SMILESO[C@]1(CNC2CCC3(CC2)OCCO3)CCc2ccccc21
InChIInChI=1S/C18H25NO3/c20-17(8-5-14-3-1-2-4-16(14)17)13-19-15-6-9-18(10-7-15)21-11-12-22-18/h1-4,15,19-20H,5-13H2/t17-/m0/s1
InChIKeyUAESOKFVEIKZPM-KRWDZBQOSA-N
XLogP2.10
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of (1R)-1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-2,3-dihydroinden-1-ol (CID 99703085) is (1R)-1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for (1R)-1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for (1R)-1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-2,3-dihydroinden-1-ol is O[C@]1(CNC2CCC3(CC2)OCCO3)CCc2ccccc21.
What is the InChIKey of (1R)-1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is UAESOKFVEIKZPM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25NO3/c20-17(8-5-14-3-1-2-4-16(14)17)13-19-15-6-9-18(10-7-15)21-11-12-22-18/h1-4,15,19-20H,5-13H2/t17-/m0/s1.
What are the key properties of (1R)-1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-2,3-dihydroinden-1-ol?
(1R)-1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 303.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 99703085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).