6-[(1R)-1-aminoethyl]-2,3-dihydro-1H-inden-4-amine

C11H16N2 — CID 130714837

IUPAC6-[(1R)-1-aminoethyl]-2,3-dihydro-1H-inden-4-amine
SMILESC[C@@H](N)c1cc(N)c2c(c1)CCC2
InChIInChI=1S/C11H16N2/c1-7(12)9-5-8-3-2-4-10(8)11(13)6-9/h5-7H,2-4,12-13H2,1H3/t7-/m1/s1
InChIKeyOFSBYWVYTWLYSX-SSDOTTSWSA-N
MW176.26 g/mol
LogP1.78
Rot. Bonds1

About 6-[(1R)-1-aminoethyl]-2,3-dihydro-1H-inden-4-amine

6-[(1R)-1-aminoethyl]-2,3-dihydro-1H-inden-4-amine (PubChem CID 130714837) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 6-[(1R)-1-aminoethyl]-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound Name6-[(1R)-1-aminoethyl]-2,3-dihydro-1H-inden-4-amine
PubChem CID130714837
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name6-[(1R)-1-aminoethyl]-2,3-dihydro-1H-inden-4-amine
SMILESC[C@@H](N)c1cc(N)c2c(c1)CCC2
InChIInChI=1S/C11H16N2/c1-7(12)9-5-8-3-2-4-10(8)11(13)6-9/h5-7H,2-4,12-13H2,1H3/t7-/m1/s1
InChIKeyOFSBYWVYTWLYSX-SSDOTTSWSA-N
XLogP1.78
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[(1R)-1-aminoethyl]-2,3-dihydro-1H-inden-4-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

(1R)-1-(7-chloro-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 130682579
6-(1-aminoethyl)-2,3-dihydro-1H-indene-4-carbonitrile
CID 130062108
7-(1-aminoethyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 116993141
(1R)-1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 131182240
1-(7-bromo-2,3-dihydro-1H-inden-5-yl)ethanol
CID 84702409
1-(7-chloro-2,3-dihydro-1H-inden-5-yl)ethanol
CID 84667304
1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine
CID 146221659
ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 145387694
7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82759360
6-propan-2-yl-2,3-dihydro-1H-inden-5-amine
CID 146503682
3-amino-5-(1-aminoethyl)benzene-1,2-diol
CID 130060617
(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine;hydrochloride
CID 169081091

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-aminoethyl]-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of 6-[(1R)-1-aminoethyl]-2,3-dihydro-1H-inden-4-amine (CID 130714837) is 6-[(1R)-1-aminoethyl]-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for 6-[(1R)-1-aminoethyl]-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for 6-[(1R)-1-aminoethyl]-2,3-dihydro-1H-inden-4-amine is C[C@@H](N)c1cc(N)c2c(c1)CCC2.
What is the InChIKey of 6-[(1R)-1-aminoethyl]-2,3-dihydro-1H-inden-4-amine?
The InChIKey is OFSBYWVYTWLYSX-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16N2/c1-7(12)9-5-8-3-2-4-10(8)11(13)6-9/h5-7H,2-4,12-13H2,1H3/t7-/m1/s1.
What are the key properties of 6-[(1R)-1-aminoethyl]-2,3-dihydro-1H-inden-4-amine?
6-[(1R)-1-aminoethyl]-2,3-dihydro-1H-inden-4-amine has a molecular weight of 176.26 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-aminoethyl]-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 130714837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).