2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile

C13H15N3 — CID 102915930

IUPAC2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile
SMILESCCNCc1ccc2c(ccn2CC#N)c1
InChIInChI=1S/C13H15N3/c1-2-15-10-11-3-4-13-12(9-11)5-7-16(13)8-6-14/h3-5,7,9,15H,2,8,10H2,1H3
InChIKeyUFXSZDXCHPOKNC-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.27
Rot. Bonds4

About 2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile

2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile (PubChem CID 102915930) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile
PubChem CID102915930
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile
SMILESCCNCc1ccc2c(ccn2CC#N)c1
InChIInChI=1S/C13H15N3/c1-2-15-10-11-3-4-13-12(9-11)5-7-16(13)8-6-14/h3-5,7,9,15H,2,8,10H2,1H3
InChIKeyUFXSZDXCHPOKNC-UHFFFAOYSA-N
XLogP2.27
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(ethylaminomethyl)indol-1-yl]ethanol
CID 102915827
N-(2-cyanoethyl)-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915820
3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol
CID 102915922
3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
CID 102915831
N-[[1-(2-ethylbutyl)indol-5-yl]methyl]ethanamine
CID 82925492
methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate
CID 102915843
N-[[1-(2-ethylsulfanylethyl)indol-5-yl]methyl]ethanamine
CID 113474442
N-ethyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915889
N-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine
CID 103035023
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine
CID 102915939
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]ethanamine
CID 102915853
N-cyclopropyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915871

Frequently Asked Questions

What is the IUPAC name of 2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile?
The IUPAC name of 2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile (CID 102915930) is 2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile.
What is the SMILES notation for 2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile?
The canonical SMILES for 2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile is CCNCc1ccc2c(ccn2CC#N)c1.
What is the InChIKey of 2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile?
The InChIKey is UFXSZDXCHPOKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-15-10-11-3-4-13-12(9-11)5-7-16(13)8-6-14/h3-5,7,9,15H,2,8,10H2,1H3.
What are the key properties of 2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile?
2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile has a molecular weight of 213.28 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile is sourced from PubChem (CID 102915930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).