2,2-dimethyl-5-(5-propoxyindol-1-yl)pentanenitrile

C18H24N2O — CID 116625622

IUPAC2,2-dimethyl-5-(5-propoxyindol-1-yl)pentanenitrile
SMILESCCCOc1ccc2c(ccn2CCCC(C)(C)C#N)c1
InChIInChI=1S/C18H24N2O/c1-4-12-21-16-6-7-17-15(13-16)8-11-20(17)10-5-9-18(2,3)14-19/h6-8,11,13H,4-5,9-10,12H2,1-3H3
InChIKeyATPNCKZVZVNKPW-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.76
Rot. Bonds7

About 2,2-dimethyl-5-(5-propoxyindol-1-yl)pentanenitrile

2,2-dimethyl-5-(5-propoxyindol-1-yl)pentanenitrile (PubChem CID 116625622) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2,2-dimethyl-5-(5-propoxyindol-1-yl)pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-(5-propoxyindol-1-yl)pentanenitrile
PubChem CID116625622
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2,2-dimethyl-5-(5-propoxyindol-1-yl)pentanenitrile
SMILESCCCOc1ccc2c(ccn2CCCC(C)(C)C#N)c1
InChIInChI=1S/C18H24N2O/c1-4-12-21-16-6-7-17-15(13-16)8-11-20(17)10-5-9-18(2,3)14-19/h6-8,11,13H,4-5,9-10,12H2,1-3H3
InChIKeyATPNCKZVZVNKPW-UHFFFAOYSA-N
XLogP4.76
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-propoxyindol-1-yl)ethanamine
CID 80643088
2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile
CID 102915726
1-(3-methylsulfonylpropyl)-5-propoxyindole
CID 116625606
4-(5-ethoxyindol-1-yl)butanenitrile
CID 110830965
1-(5-cyano-5-methylhexyl)indole-5-carboxylic acid
CID 106713021
6-[5-(aminomethyl)indol-1-yl]-2,2-dimethylhexanenitrile
CID 106713590
N-methyl-4-(5-propoxyindol-1-yl)butanamide
CID 116625559
5-propoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 116625520
5-(5-propoxyindol-1-yl)pentanehydrazide
CID 80649567
5-propoxy-1-(2-pyrazol-1-ylethyl)indole
CID 116625600
1-(2-piperidin-1-ylethyl)-5-propoxyindole
CID 116625548
N-[2-(5-propoxyindol-1-yl)ethyl]pentan-3-amine
CID 80649420

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(5-propoxyindol-1-yl)pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-(5-propoxyindol-1-yl)pentanenitrile (CID 116625622) is 2,2-dimethyl-5-(5-propoxyindol-1-yl)pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-(5-propoxyindol-1-yl)pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-(5-propoxyindol-1-yl)pentanenitrile is CCCOc1ccc2c(ccn2CCCC(C)(C)C#N)c1.
What is the InChIKey of 2,2-dimethyl-5-(5-propoxyindol-1-yl)pentanenitrile?
The InChIKey is ATPNCKZVZVNKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-12-21-16-6-7-17-15(13-16)8-11-20(17)10-5-9-18(2,3)14-19/h6-8,11,13H,4-5,9-10,12H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-(5-propoxyindol-1-yl)pentanenitrile?
2,2-dimethyl-5-(5-propoxyindol-1-yl)pentanenitrile has a molecular weight of 284.40 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(5-propoxyindol-1-yl)pentanenitrile is sourced from PubChem (CID 116625622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).