spiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine

C12H15NO2 — CID 23393923

IUPACspiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine
SMILESNc1ccc2c(c1)CCC1(C2)OCCO1
InChIInChI=1S/C12H15NO2/c13-11-2-1-10-8-12(14-5-6-15-12)4-3-9(10)7-11/h1-2,7H,3-6,8,13H2
InChIKeyDVSYHQOMIKXSAN-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.50
Rot. Bonds

About spiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine

spiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine (PubChem CID 23393923) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine
PubChem CID23393923
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namespiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine
SMILESNc1ccc2c(c1)CCC1(C2)OCCO1
InChIInChI=1S/C12H15NO2/c13-11-2-1-10-8-12(14-5-6-15-12)4-3-9(10)7-11/h1-2,7H,3-6,8,13H2
InChIKeyDVSYHQOMIKXSAN-UHFFFAOYSA-N
XLogP1.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine?
The IUPAC name of spiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine (CID 23393923) is spiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine.
What is the SMILES notation for spiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine?
The canonical SMILES for spiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine is Nc1ccc2c(c1)CCC1(C2)OCCO1.
What is the InChIKey of spiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine?
The InChIKey is DVSYHQOMIKXSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-11-2-1-10-8-12(14-5-6-15-12)4-3-9(10)7-11/h1-2,7H,3-6,8,13H2.
What are the key properties of spiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine?
spiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine has a molecular weight of 205.26 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-naphthalene]-2'-amine is sourced from PubChem (CID 23393923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).