[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,3-dihydro-1H-inden-2-yl)methanone

C18H24N2O — CID 106893265

IUPAC[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESNC1CC[C@@H]2CN(C(=O)C3Cc4ccccc4C3)C[C@@H]2C1
InChIInChI=1S/C18H24N2O/c19-17-6-5-14-10-20(11-16(14)9-17)18(21)15-7-12-3-1-2-4-13(12)8-15/h1-4,14-17H,5-11,19H2/t14-,16+,17?/m1/s1
InChIKeyYDJVFHXGHCOKEJ-UMFITKPXSA-N
MW284.40 g/mol
LogP1.99
Rot. Bonds1

About [(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,3-dihydro-1H-inden-2-yl)methanone

[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,3-dihydro-1H-inden-2-yl)methanone (PubChem CID 106893265) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is [(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,3-dihydro-1H-inden-2-yl)methanone.

Molecular Properties

Compound Name[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
PubChem CID106893265
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESNC1CC[C@@H]2CN(C(=O)C3Cc4ccccc4C3)C[C@@H]2C1
InChIInChI=1S/C18H24N2O/c19-17-6-5-14-10-20(11-16(14)9-17)18(21)15-7-12-3-1-2-4-13(12)8-15/h1-4,14-17H,5-11,19H2/t14-,16+,17?/m1/s1
InChIKeyYDJVFHXGHCOKEJ-UMFITKPXSA-N
XLogP1.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,3-dihydro-1H-inden-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,3-dihydro-1H-inden-2-yl)methanone?
The IUPAC name of [(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,3-dihydro-1H-inden-2-yl)methanone (CID 106893265) is [(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,3-dihydro-1H-inden-2-yl)methanone.
What is the SMILES notation for [(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,3-dihydro-1H-inden-2-yl)methanone?
The canonical SMILES for [(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,3-dihydro-1H-inden-2-yl)methanone is NC1CC[C@@H]2CN(C(=O)C3Cc4ccccc4C3)C[C@@H]2C1.
What is the InChIKey of [(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,3-dihydro-1H-inden-2-yl)methanone?
The InChIKey is YDJVFHXGHCOKEJ-UMFITKPXSA-N. The full InChI is InChI=1S/C18H24N2O/c19-17-6-5-14-10-20(11-16(14)9-17)18(21)15-7-12-3-1-2-4-13(12)8-15/h1-4,14-17H,5-11,19H2/t14-,16+,17?/m1/s1.
What are the key properties of [(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,3-dihydro-1H-inden-2-yl)methanone?
[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,3-dihydro-1H-inden-2-yl)methanone has a molecular weight of 284.40 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,3-dihydro-1H-inden-2-yl)methanone is sourced from PubChem (CID 106893265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).