2-[2,3-dihydro-1H-inden-5-yl(dimethylamino)methyl]-3-methylbutanenitrile

C17H24N2 — CID 116913794

IUPAC2-[2,3-dihydro-1H-inden-5-yl(dimethylamino)methyl]-3-methylbutanenitrile
SMILESCC(C)C(C#N)C(c1ccc2c(c1)CCC2)N(C)C
InChIInChI=1S/C17H24N2/c1-12(2)16(11-18)17(19(3)4)15-9-8-13-6-5-7-14(13)10-15/h8-10,12,16-17H,5-7H2,1-4H3
InChIKeyHOSZJUNBBABSKF-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.57
Rot. Bonds4

About 2-[2,3-dihydro-1H-inden-5-yl(dimethylamino)methyl]-3-methylbutanenitrile

2-[2,3-dihydro-1H-inden-5-yl(dimethylamino)methyl]-3-methylbutanenitrile (PubChem CID 116913794) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-inden-5-yl(dimethylamino)methyl]-3-methylbutanenitrile.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-inden-5-yl(dimethylamino)methyl]-3-methylbutanenitrile
PubChem CID116913794
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-[2,3-dihydro-1H-inden-5-yl(dimethylamino)methyl]-3-methylbutanenitrile
SMILESCC(C)C(C#N)C(c1ccc2c(c1)CCC2)N(C)C
InChIInChI=1S/C17H24N2/c1-12(2)16(11-18)17(19(3)4)15-9-8-13-6-5-7-14(13)10-15/h8-10,12,16-17H,5-7H2,1-4H3
InChIKeyHOSZJUNBBABSKF-UHFFFAOYSA-N
XLogP3.57
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)ethanol
CID 116857218
2-[3H-benzimidazol-5-yl(dimethylamino)methyl]-3-methylbutanenitrile
CID 116913817
2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile
CID 82076345
2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol
CID 82285998
1-(2,3-dihydro-1H-inden-5-yl)-1-hydroxy-3-methylbutan-2-one
CID 116835964
2-[2,3-dihydro-1H-inden-5-yl(methylamino)methyl]butanenitrile
CID 116960523
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanenitrile
CID 43207724
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031
2-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylacetonitrile
CID 116833439
3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile
CID 116940358
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-inden-5-yl(dimethylamino)methyl]-3-methylbutanenitrile?
The IUPAC name of 2-[2,3-dihydro-1H-inden-5-yl(dimethylamino)methyl]-3-methylbutanenitrile (CID 116913794) is 2-[2,3-dihydro-1H-inden-5-yl(dimethylamino)methyl]-3-methylbutanenitrile.
What is the SMILES notation for 2-[2,3-dihydro-1H-inden-5-yl(dimethylamino)methyl]-3-methylbutanenitrile?
The canonical SMILES for 2-[2,3-dihydro-1H-inden-5-yl(dimethylamino)methyl]-3-methylbutanenitrile is CC(C)C(C#N)C(c1ccc2c(c1)CCC2)N(C)C.
What is the InChIKey of 2-[2,3-dihydro-1H-inden-5-yl(dimethylamino)methyl]-3-methylbutanenitrile?
The InChIKey is HOSZJUNBBABSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-12(2)16(11-18)17(19(3)4)15-9-8-13-6-5-7-14(13)10-15/h8-10,12,16-17H,5-7H2,1-4H3.
What are the key properties of 2-[2,3-dihydro-1H-inden-5-yl(dimethylamino)methyl]-3-methylbutanenitrile?
2-[2,3-dihydro-1H-inden-5-yl(dimethylamino)methyl]-3-methylbutanenitrile has a molecular weight of 256.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1H-inden-5-yl(dimethylamino)methyl]-3-methylbutanenitrile is sourced from PubChem (CID 116913794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).