[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine

C12H15N — CID 94557979

IUPAC[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine
SMILESNC[C@H]1C[C@]12CCc1ccccc12
InChIInChI=1S/C12H15N/c13-8-10-7-12(10)6-5-9-3-1-2-4-11(9)12/h1-4,10H,5-8,13H2/t10-,12-/m1/s1
InChIKeyHQMCNIGJEVYPGW-ZYHUDNBSSA-N
MW173.26 g/mol
LogP1.85
Rot. Bonds1

About [(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine

[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine (PubChem CID 94557979) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is [(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine.

Molecular Properties

Compound Name[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine
PubChem CID94557979
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine
SMILESNC[C@H]1C[C@]12CCc1ccccc12
InChIInChI=1S/C12H15N/c13-8-10-7-12(10)6-5-9-3-1-2-4-11(9)12/h1-4,10H,5-8,13H2/t10-,12-/m1/s1
InChIKeyHQMCNIGJEVYPGW-ZYHUDNBSSA-N
XLogP1.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine?
The IUPAC name of [(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine (CID 94557979) is [(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine.
What is the SMILES notation for [(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine?
The canonical SMILES for [(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine is NC[C@H]1C[C@]12CCc1ccccc12.
What is the InChIKey of [(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine?
The InChIKey is HQMCNIGJEVYPGW-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H15N/c13-8-10-7-12(10)6-5-9-3-1-2-4-11(9)12/h1-4,10H,5-8,13H2/t10-,12-/m1/s1.
What are the key properties of [(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine?
[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine has a molecular weight of 173.26 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine is sourced from PubChem (CID 94557979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).