3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-cyclopropylamino]propanenitrile

C15H19N3 — CID 79741269

IUPAC3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-cyclopropylamino]propanenitrile
SMILESN#CCCN(C1CC1)C1CCc2cc(N)ccc21
InChIInChI=1S/C15H19N3/c16-8-1-9-18(13-4-5-13)15-7-2-11-10-12(17)3-6-14(11)15/h3,6,10,13,15H,1-2,4-5,7,9,17H2
InChIKeyWRESQQILKUUEEL-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.63
Rot. Bonds4

About 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-cyclopropylamino]propanenitrile

3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-cyclopropylamino]propanenitrile (PubChem CID 79741269) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-cyclopropylamino]propanenitrile.

Molecular Properties

Compound Name3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-cyclopropylamino]propanenitrile
PubChem CID79741269
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-cyclopropylamino]propanenitrile
SMILESN#CCCN(C1CC1)C1CCc2cc(N)ccc21
InChIInChI=1S/C15H19N3/c16-8-1-9-18(13-4-5-13)15-7-2-11-10-12(17)3-6-14(11)15/h3,6,10,13,15H,1-2,4-5,7,9,17H2
InChIKeyWRESQQILKUUEEL-UHFFFAOYSA-N
XLogP2.63
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-cyclopropylamino]propanenitrile?
The IUPAC name of 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-cyclopropylamino]propanenitrile (CID 79741269) is 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-cyclopropylamino]propanenitrile.
What is the SMILES notation for 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-cyclopropylamino]propanenitrile?
The canonical SMILES for 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-cyclopropylamino]propanenitrile is N#CCCN(C1CC1)C1CCc2cc(N)ccc21.
What is the InChIKey of 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-cyclopropylamino]propanenitrile?
The InChIKey is WRESQQILKUUEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-8-1-9-18(13-4-5-13)15-7-2-11-10-12(17)3-6-14(11)15/h3,6,10,13,15H,1-2,4-5,7,9,17H2.
What are the key properties of 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-cyclopropylamino]propanenitrile?
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-cyclopropylamino]propanenitrile has a molecular weight of 241.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-cyclopropylamino]propanenitrile is sourced from PubChem (CID 79741269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).