spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene]-1'-ylmethanamine

C13H23NO2 — CID 130156306

IUPACspiro[1,3-dioxolane-2,3'-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene]-1'-ylmethanamine
SMILESNCC1CC2(CC3CCCCC13)OCCO2
InChIInChI=1S/C13H23NO2/c14-9-11-8-13(15-5-6-16-13)7-10-3-1-2-4-12(10)11/h10-12H,1-9,14H2
InChIKeyVCVULHDZQSYIPO-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.90
Rot. Bonds1

About spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene]-1'-ylmethanamine

spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene]-1'-ylmethanamine (PubChem CID 130156306) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene]-1'-ylmethanamine.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,3'-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene]-1'-ylmethanamine
PubChem CID130156306
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namespiro[1,3-dioxolane-2,3'-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene]-1'-ylmethanamine
SMILESNCC1CC2(CC3CCCCC13)OCCO2
InChIInChI=1S/C13H23NO2/c14-9-11-8-13(15-5-6-16-13)7-10-3-1-2-4-12(10)11/h10-12H,1-9,14H2
InChIKeyVCVULHDZQSYIPO-UHFFFAOYSA-N
XLogP1.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene]-1'-ylmethanamine?
The IUPAC name of spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene]-1'-ylmethanamine (CID 130156306) is spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene]-1'-ylmethanamine.
What is the SMILES notation for spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene]-1'-ylmethanamine?
The canonical SMILES for spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene]-1'-ylmethanamine is NCC1CC2(CC3CCCCC13)OCCO2.
What is the InChIKey of spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene]-1'-ylmethanamine?
The InChIKey is VCVULHDZQSYIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c14-9-11-8-13(15-5-6-16-13)7-10-3-1-2-4-12(10)11/h10-12H,1-9,14H2.
What are the key properties of spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene]-1'-ylmethanamine?
spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene]-1'-ylmethanamine has a molecular weight of 225.33 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene]-1'-ylmethanamine is sourced from PubChem (CID 130156306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).