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

C14H18N2 — CID 43207724

IUPAC3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanenitrile
SMILESCC(NCCC#N)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18N2/c1-11(16-9-3-8-15)13-7-6-12-4-2-5-14(12)10-13/h6-7,10-11,16H,2-5,9H2,1H3
InChIKeyZCYVXBNVLYSWGI-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.74
Rot. Bonds4

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

3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanenitrile (PubChem CID 43207724) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanenitrile.

Molecular Properties

Compound Name3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanenitrile
PubChem CID43207724
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanenitrile
SMILESCC(NCCC#N)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18N2/c1-11(16-9-3-8-15)13-7-6-12-4-2-5-14(12)10-13/h6-7,10-11,16H,2-5,9H2,1H3
InChIKeyZCYVXBNVLYSWGI-UHFFFAOYSA-N
XLogP2.74
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 43200388
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079
N'-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]butane-1,4-diamine
CID 60893434
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hex-5-yn-1-amine
CID 106209632
N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 63450607
N-(2-propan-2-yloxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 115574841
N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diamine
CID 60889722
4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile
CID 116955267
1-(2,3-dihydro-1H-inden-5-yl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 103902490
N-(2-methylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 113261699
3-[1-(4-chlorophenyl)ethylamino]propanenitrile
CID 43183179
5-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]thiophene-3-carbonitrile
CID 79538677

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanenitrile?
The IUPAC name of 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanenitrile (CID 43207724) is 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanenitrile.
What is the SMILES notation for 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanenitrile?
The canonical SMILES for 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanenitrile is CC(NCCC#N)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanenitrile?
The InChIKey is ZCYVXBNVLYSWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11(16-9-3-8-15)13-7-6-12-4-2-5-14(12)10-13/h6-7,10-11,16H,2-5,9H2,1H3.
What are the key properties of 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanenitrile?
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanenitrile has a molecular weight of 214.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanenitrile is sourced from PubChem (CID 43207724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).