(5-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine

C13H17NO2 — CID 82774985

IUPAC(5-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine
SMILESCc1ccc2c(c1)C1(CC2)OCC(CN)O1
InChIInChI=1S/C13H17NO2/c1-9-2-3-10-4-5-13(12(10)6-9)15-8-11(7-14)16-13/h2-3,6,11H,4-5,7-8,14H2,1H3
InChIKeyKGSWZYTZZNMWBF-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.47
Rot. Bonds1

About (5-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine

(5-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine (PubChem CID 82774985) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (5-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine.

Molecular Properties

Compound Name(5-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine
PubChem CID82774985
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(5-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine
SMILESCc1ccc2c(c1)C1(CC2)OCC(CN)O1
InChIInChI=1S/C13H17NO2/c1-9-2-3-10-4-5-13(12(10)6-9)15-8-11(7-14)16-13/h2-3,6,11H,4-5,7-8,14H2,1H3
InChIKeyKGSWZYTZZNMWBF-UHFFFAOYSA-N
XLogP1.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine?
The IUPAC name of (5-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine (CID 82774985) is (5-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine.
What is the SMILES notation for (5-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine?
The canonical SMILES for (5-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine is Cc1ccc2c(c1)C1(CC2)OCC(CN)O1.
What is the InChIKey of (5-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine?
The InChIKey is KGSWZYTZZNMWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-2-3-10-4-5-13(12(10)6-9)15-8-11(7-14)16-13/h2-3,6,11H,4-5,7-8,14H2,1H3.
What are the key properties of (5-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine?
(5-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine has a molecular weight of 219.28 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine is sourced from PubChem (CID 82774985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).