2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile

C17H23N3 — CID 102915726

IUPAC2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile
SMILESCNCc1ccc2c(ccn2CCCC(C)(C)C#N)c1
InChIInChI=1S/C17H23N3/c1-17(2,13-18)8-4-9-20-10-7-15-11-14(12-19-3)5-6-16(15)20/h5-7,10-11,19H,4,8-9,12H2,1-3H3
InChIKeyWYHURGYAUQTGKY-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.69
Rot. Bonds6

About 2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile

2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile (PubChem CID 102915726) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile
PubChem CID102915726
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile
SMILESCNCc1ccc2c(ccn2CCCC(C)(C)C#N)c1
InChIInChI=1S/C17H23N3/c1-17(2,13-18)8-4-9-20-10-7-15-11-14(12-19-3)5-6-16(15)20/h5-7,10-11,19H,4,8-9,12H2,1-3H3
InChIKeyWYHURGYAUQTGKY-UHFFFAOYSA-N
XLogP3.69
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[5-(aminomethyl)indol-1-yl]-2,2-dimethylhexanenitrile
CID 106713590
1-(1-hept-6-enylindol-5-yl)-N-methylmethanamine
CID 107010388
1-(5-cyano-5-methylhexyl)indole-5-carboxylic acid
CID 106713021
2,2-dimethyl-5-(5-propoxyindol-1-yl)pentanenitrile
CID 116625622
1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine
CID 65178006
N-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine
CID 102915720
1-[1-(2-tert-butylsulfonylethyl)indol-5-yl]-N-methylmethanamine
CID 106717836
1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine
CID 102915693
2,2-dimethyl-5-(6-nitroindol-1-yl)pentanenitrile
CID 116621000
N-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine
CID 103035023
N-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine
CID 114532036
3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
CID 102915831

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile (CID 102915726) is 2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile is CNCc1ccc2c(ccn2CCCC(C)(C)C#N)c1.
What is the InChIKey of 2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile?
The InChIKey is WYHURGYAUQTGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-17(2,13-18)8-4-9-20-10-7-15-11-14(12-19-3)5-6-16(15)20/h5-7,10-11,19H,4,8-9,12H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile?
2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile has a molecular weight of 269.39 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile is sourced from PubChem (CID 102915726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).