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

C13H23NO2 — CID 130156383

IUPACspiro[1,2,3,4,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-4a-ylmethanamine
SMILESNCC12CCCCC1CCC1(C2)OCCO1
InChIInChI=1S/C13H23NO2/c14-10-12-5-2-1-3-11(12)4-6-13(9-12)15-7-8-16-13/h11H,1-10,14H2
InChIKeyMBRUFNNJKFYFDB-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.05
Rot. Bonds1

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

spiro[1,2,3,4,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-4a-ylmethanamine (PubChem CID 130156383) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is spiro[1,2,3,4,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-4a-ylmethanamine.

Molecular Properties

Compound Namespiro[1,2,3,4,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-4a-ylmethanamine
PubChem CID130156383
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namespiro[1,2,3,4,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-4a-ylmethanamine
SMILESNCC12CCCCC1CCC1(C2)OCCO1
InChIInChI=1S/C13H23NO2/c14-10-12-5-2-1-3-11(12)4-6-13(9-12)15-7-8-16-13/h11H,1-10,14H2
InChIKeyMBRUFNNJKFYFDB-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,2,3,4,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-4a-ylmethanamine?
The IUPAC name of spiro[1,2,3,4,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-4a-ylmethanamine (CID 130156383) is spiro[1,2,3,4,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-4a-ylmethanamine.
What is the SMILES notation for spiro[1,2,3,4,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-4a-ylmethanamine?
The canonical SMILES for spiro[1,2,3,4,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-4a-ylmethanamine is NCC12CCCCC1CCC1(C2)OCCO1.
What is the InChIKey of spiro[1,2,3,4,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-4a-ylmethanamine?
The InChIKey is MBRUFNNJKFYFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c14-10-12-5-2-1-3-11(12)4-6-13(9-12)15-7-8-16-13/h11H,1-10,14H2.
What are the key properties of spiro[1,2,3,4,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-4a-ylmethanamine?
spiro[1,2,3,4,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-4a-ylmethanamine has a molecular weight of 225.33 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2,3,4,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-4a-ylmethanamine is sourced from PubChem (CID 130156383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).