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

C12H13N — CID 5289310

IUPAC(1S)-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-/m0/s1
InChIKeyRUOKEQAAGRXIBM-LBPRGKRZSA-N
MW171.24 g/mol
LogP1.90
Rot. Bonds2

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

(1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 5289310) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is (1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
PubChem CID5289310
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name(1S)-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-/m0/s1
InChIKeyRUOKEQAAGRXIBM-LBPRGKRZSA-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 (1S)-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

Frequently Asked Questions

What is the IUPAC name of (1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine (CID 5289310) is (1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine is C#CCN[C@H]1CCc2ccccc21.
What is the InChIKey of (1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RUOKEQAAGRXIBM-LBPRGKRZSA-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-/m0/s1.
What are the key properties of (1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
(1S)-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 (1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 5289310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).