5-[(2S)-azetidin-2-yl]-2,3-dihydro-1H-inden-4-amine

C12H16N2 — CID 130655160

IUPAC5-[(2S)-azetidin-2-yl]-2,3-dihydro-1H-inden-4-amine
SMILESNc1c([C@@H]2CCN2)ccc2c1CCC2
InChIInChI=1S/C12H16N2/c13-12-9-3-1-2-8(9)4-5-10(12)11-6-7-14-11/h4-5,11,14H,1-3,6-7,13H2/t11-/m0/s1
InChIKeyADORZPFFJLBAII-NSHDSACASA-N
MW188.27 g/mol
LogP1.79
Rot. Bonds1

About 5-[(2S)-azetidin-2-yl]-2,3-dihydro-1H-inden-4-amine

5-[(2S)-azetidin-2-yl]-2,3-dihydro-1H-inden-4-amine (PubChem CID 130655160) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-[(2S)-azetidin-2-yl]-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound Name5-[(2S)-azetidin-2-yl]-2,3-dihydro-1H-inden-4-amine
PubChem CID130655160
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name5-[(2S)-azetidin-2-yl]-2,3-dihydro-1H-inden-4-amine
SMILESNc1c([C@@H]2CCN2)ccc2c1CCC2
InChIInChI=1S/C12H16N2/c13-12-9-3-1-2-8(9)4-5-10(12)11-6-7-14-11/h4-5,11,14H,1-3,6-7,13H2/t11-/m0/s1
InChIKeyADORZPFFJLBAII-NSHDSACASA-N
XLogP1.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-azetidin-2-yl]-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of 5-[(2S)-azetidin-2-yl]-2,3-dihydro-1H-inden-4-amine (CID 130655160) is 5-[(2S)-azetidin-2-yl]-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for 5-[(2S)-azetidin-2-yl]-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for 5-[(2S)-azetidin-2-yl]-2,3-dihydro-1H-inden-4-amine is Nc1c([C@@H]2CCN2)ccc2c1CCC2.
What is the InChIKey of 5-[(2S)-azetidin-2-yl]-2,3-dihydro-1H-inden-4-amine?
The InChIKey is ADORZPFFJLBAII-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N2/c13-12-9-3-1-2-8(9)4-5-10(12)11-6-7-14-11/h4-5,11,14H,1-3,6-7,13H2/t11-/m0/s1.
What are the key properties of 5-[(2S)-azetidin-2-yl]-2,3-dihydro-1H-inden-4-amine?
5-[(2S)-azetidin-2-yl]-2,3-dihydro-1H-inden-4-amine has a molecular weight of 188.27 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-azetidin-2-yl]-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 130655160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).