5-[7-(2-aminoethyl)indol-1-yl]-2,2-dimethylpentanenitrile

C17H23N3 — CID 102917116

IUPAC5-[7-(2-aminoethyl)indol-1-yl]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCn1ccc2cccc(CCN)c21
InChIInChI=1S/C17H23N3/c1-17(2,13-19)9-4-11-20-12-8-15-6-3-5-14(7-10-18)16(15)20/h3,5-6,8,12H,4,7,9-11,18H2,1-2H3
InChIKeyKKZMMMUGVOIKDR-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.47
Rot. Bonds6

About 5-[7-(2-aminoethyl)indol-1-yl]-2,2-dimethylpentanenitrile

5-[7-(2-aminoethyl)indol-1-yl]-2,2-dimethylpentanenitrile (PubChem CID 102917116) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-[7-(2-aminoethyl)indol-1-yl]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[7-(2-aminoethyl)indol-1-yl]-2,2-dimethylpentanenitrile
PubChem CID102917116
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name5-[7-(2-aminoethyl)indol-1-yl]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCn1ccc2cccc(CCN)c21
InChIInChI=1S/C17H23N3/c1-17(2,13-19)9-4-11-20-12-8-15-6-3-5-14(7-10-18)16(15)20/h3,5-6,8,12H,4,7,9-11,18H2,1-2H3
InChIKeyKKZMMMUGVOIKDR-UHFFFAOYSA-N
XLogP3.47
TPSA54.74 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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[7-(aminomethyl)indol-1-yl]-2,2-dimethylpentanenitrile
CID 102913556
2-(1-propylindol-7-yl)ethanamine
CID 102917066
2,2-dimethyl-4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanenitrile
CID 102914573
2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]ethanamine
CID 102917151
2-[1-(2-propan-2-ylsulfonylethyl)indol-7-yl]ethanamine
CID 106720962
5-[3-(2-aminoethyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile
CID 66412628
4-[7-(aminomethyl)indol-1-yl]-2-methylbutan-2-ol
CID 102913373
2-[1-(2-thiophen-3-ylethyl)indol-7-yl]ethanamine
CID 102917113
4-[7-(methylaminomethyl)indol-1-yl]butanenitrile
CID 102913981
[1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine
CID 102913583
1-(4-cyano-4-methylpentyl)pyrrole-2-carbonitrile
CID 114650903
2-[1-[(2-bromophenyl)methyl]indol-7-yl]ethanamine
CID 102917143

Frequently Asked Questions

What is the IUPAC name of 5-[7-(2-aminoethyl)indol-1-yl]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[7-(2-aminoethyl)indol-1-yl]-2,2-dimethylpentanenitrile (CID 102917116) is 5-[7-(2-aminoethyl)indol-1-yl]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[7-(2-aminoethyl)indol-1-yl]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[7-(2-aminoethyl)indol-1-yl]-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCn1ccc2cccc(CCN)c21.
What is the InChIKey of 5-[7-(2-aminoethyl)indol-1-yl]-2,2-dimethylpentanenitrile?
The InChIKey is KKZMMMUGVOIKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-17(2,13-19)9-4-11-20-12-8-15-6-3-5-14(7-10-18)16(15)20/h3,5-6,8,12H,4,7,9-11,18H2,1-2H3.
What are the key properties of 5-[7-(2-aminoethyl)indol-1-yl]-2,2-dimethylpentanenitrile?
5-[7-(2-aminoethyl)indol-1-yl]-2,2-dimethylpentanenitrile has a molecular weight of 269.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(2-aminoethyl)indol-1-yl]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 102917116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).