3-(2,3-dihydro-1H-inden-1-yl)prop-2-yn-1-amine

C12H13N — CID 68707064

IUPAC3-(2,3-dihydro-1H-inden-1-yl)prop-2-yn-1-amine
SMILESNCC#CC1CCc2ccccc21
InChIInChI=1S/C12H13N/c13-9-3-5-11-8-7-10-4-1-2-6-12(10)11/h1-2,4,6,11H,7-9,13H2
InChIKeyIFUFZGKEPPALFW-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.68
Rot. Bonds

About 3-(2,3-dihydro-1H-inden-1-yl)prop-2-yn-1-amine

3-(2,3-dihydro-1H-inden-1-yl)prop-2-yn-1-amine (PubChem CID 68707064) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-1-yl)prop-2-yn-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-1-yl)prop-2-yn-1-amine
PubChem CID68707064
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name3-(2,3-dihydro-1H-inden-1-yl)prop-2-yn-1-amine
SMILESNCC#CC1CCc2ccccc21
InChIInChI=1S/C12H13N/c13-9-3-5-11-8-7-10-4-1-2-6-12(10)11/h1-2,4,6,11H,7-9,13H2
InChIKeyIFUFZGKEPPALFW-UHFFFAOYSA-N
XLogP1.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-1-yl)prop-2-yn-1-amine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-1-yl)prop-2-yn-1-amine (CID 68707064) is 3-(2,3-dihydro-1H-inden-1-yl)prop-2-yn-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-1-yl)prop-2-yn-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-1-yl)prop-2-yn-1-amine is NCC#CC1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-1-yl)prop-2-yn-1-amine?
The InChIKey is IFUFZGKEPPALFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c13-9-3-5-11-8-7-10-4-1-2-6-12(10)11/h1-2,4,6,11H,7-9,13H2.
What are the key properties of 3-(2,3-dihydro-1H-inden-1-yl)prop-2-yn-1-amine?
3-(2,3-dihydro-1H-inden-1-yl)prop-2-yn-1-amine has a molecular weight of 171.24 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-1-yl)prop-2-yn-1-amine is sourced from PubChem (CID 68707064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).