1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine

C17H24N2 — CID 82751547

IUPAC1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine
SMILESNc1ccc2c(c1)CCC2N1CCC2CCCCC21
InChIInChI=1S/C17H24N2/c18-14-6-7-15-13(11-14)5-8-17(15)19-10-9-12-3-1-2-4-16(12)19/h6-7,11-12,16-17H,1-5,8-10,18H2
InChIKeyHMNHQFDAQNMFEK-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.52
Rot. Bonds1

About 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine

1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 82751547) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine
PubChem CID82751547
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine
SMILESNc1ccc2c(c1)CCC2N1CCC2CCCCC21
InChIInChI=1S/C17H24N2/c18-14-6-7-15-13(11-14)5-8-17(15)19-10-9-12-3-1-2-4-16(12)19/h6-7,11-12,16-17H,1-5,8-10,18H2
InChIKeyHMNHQFDAQNMFEK-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79721838
[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]methanol
CID 79741079
2-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]ethanol
CID 79741988
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82958621
1-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79741366
1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79742082
1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79936509
3-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolidin-2-yl]propan-1-ol
CID 79741638
9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline
CID 23261897
5-piperidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 116650618
4-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-2-one
CID 79741089
1-(2-azaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79746635

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine (CID 82751547) is 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine is Nc1ccc2c(c1)CCC2N1CCC2CCCCC21.
What is the InChIKey of 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is HMNHQFDAQNMFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c18-14-6-7-15-13(11-14)5-8-17(15)19-10-9-12-3-1-2-4-16(12)19/h6-7,11-12,16-17H,1-5,8-10,18H2.
What are the key properties of 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine?
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 256.39 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 82751547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).