(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

C12H13N — CID 3052776

💊View drug profile → rasagiline
IUPAC(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCN[C@@H]1CCc2ccccc21
InChIInChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
InChIKeyRUOKEQAAGRXIBM-GFCCVEGCSA-N
MW171.24 g/mol
LogP1.90
Rot. Bonds2

About (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 3052776) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
PubChem CID3052776
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCN[C@@H]1CCc2ccccc21
InChIInChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
InChIKeyRUOKEQAAGRXIBM-GFCCVEGCSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-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

Rasagiline Mesylate
CID 3052775
2-Aminoindane
CID 76310
(1S)-2,3-Dihydro-N-2-propyn-1-yl-1H-inden-1-amine
CID 5289310
N-Methylindan-2-amine
CID 15023225
(R)-N-methyl-N-2-propynyl-1-indanamine
CID 5289295
(R)-(-)-1-Aminoindan
CID 2733933
1-Aminoindane, (S)-
CID 7000084
Cyclopentyl-(1-phenyl-ethyl)-amine
CID 427071
N-methyl-2,3-dihydro-1H-inden-1-amine
CID 16774798
(+-)-1-Aminoindan
CID 123445
N-Methyl-1(R)-aminoindan
CID 5494442
[18F]fluororasagiline
CID 57328315

Frequently Asked Questions

What is the IUPAC name of (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine (CID 3052776) is (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine is C#CCN[C@@H]1CCc2ccccc21.
What is the InChIKey of (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RUOKEQAAGRXIBM-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1.
What are the key properties of (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 171.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 3052776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).