[(3S)-4'-methyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]methanamine

C19H21N — CID 90276211

IUPAC[(3S)-4'-methyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]methanamine
SMILESCc1cccc2c1[C@]1(CC2)CCc2cccc(CN)c21
InChIInChI=1S/C19H21N/c1-13-4-2-5-14-8-10-19(17(13)14)11-9-15-6-3-7-16(12-20)18(15)19/h2-7H,8-12,20H2,1H3/t19-/m0/s1
InChIKeyUXWZUDMYYCYITI-IBGZPJMESA-N
MW263.38 g/mol
LogP3.63
Rot. Bonds1

About [(3S)-4'-methyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]methanamine

[(3S)-4'-methyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]methanamine (PubChem CID 90276211) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is [(3S)-4'-methyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]methanamine.

Molecular Properties

Compound Name[(3S)-4'-methyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]methanamine
PubChem CID90276211
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name[(3S)-4'-methyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]methanamine
SMILESCc1cccc2c1[C@]1(CC2)CCc2cccc(CN)c21
InChIInChI=1S/C19H21N/c1-13-4-2-5-14-8-10-19(17(13)14)11-9-15-6-3-7-16(12-20)18(15)19/h2-7H,8-12,20H2,1H3/t19-/m0/s1
InChIKeyUXWZUDMYYCYITI-IBGZPJMESA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4'-methyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]methanamine?
The IUPAC name of [(3S)-4'-methyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]methanamine (CID 90276211) is [(3S)-4'-methyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]methanamine.
What is the SMILES notation for [(3S)-4'-methyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]methanamine?
The canonical SMILES for [(3S)-4'-methyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]methanamine is Cc1cccc2c1[C@]1(CC2)CCc2cccc(CN)c21.
What is the InChIKey of [(3S)-4'-methyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]methanamine?
The InChIKey is UXWZUDMYYCYITI-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21N/c1-13-4-2-5-14-8-10-19(17(13)14)11-9-15-6-3-7-16(12-20)18(15)19/h2-7H,8-12,20H2,1H3/t19-/m0/s1.
What are the key properties of [(3S)-4'-methyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]methanamine?
[(3S)-4'-methyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4'-methyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]methanamine is sourced from PubChem (CID 90276211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).