3-[2-(dimethylamino)ethyl]-1H-indol-2-amine

C12H17N3 — CID 54239513

IUPAC3-[2-(dimethylamino)ethyl]-1H-indol-2-amine
SMILESCN(C)CCc1c(N)[nH]c2ccccc12
InChIInChI=1S/C12H17N3/c1-15(2)8-7-10-9-5-3-4-6-11(9)14-12(10)13/h3-6,14H,7-8,13H2,1-2H3
InChIKeyQOZPAQBAODQDCF-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.85
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-1H-indol-2-amine

3-[2-(dimethylamino)ethyl]-1H-indol-2-amine (PubChem CID 54239513) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1H-indol-2-amine.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1H-indol-2-amine
PubChem CID54239513
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-[2-(dimethylamino)ethyl]-1H-indol-2-amine
SMILESCN(C)CCc1c(N)[nH]c2ccccc12
InChIInChI=1S/C12H17N3/c1-15(2)8-7-10-9-5-3-4-6-11(9)14-12(10)13/h3-6,14H,7-8,13H2,1-2H3
InChIKeyQOZPAQBAODQDCF-UHFFFAOYSA-N
XLogP1.85
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate
CID 11747350
3-[2-(dimethylamino)-2-phenylethyl]-1H-indol-2-amine
CID 159837555
2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol
CID 115224373
dimethyl 2-[[2-[2-(dimethylamino)ethyl]-1H-indol-3-yl]methyl]propanedioate;hydrochloride
CID 117068877
2-amino-3-butyl-1H-quinolin-4-one
CID 46708036
2-(2-methyl-1H-indol-3-yl)-N,N-bis(phosphanyl)ethanamine
CID 144501748
methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide
CID 117043501
1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine
CID 71197818
3-amino-1-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 115193047
2-[2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanol
CID 86024266
4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol
CID 115217891
3-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]propanenitrile
CID 115231231

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1H-indol-2-amine?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1H-indol-2-amine (CID 54239513) is 3-[2-(dimethylamino)ethyl]-1H-indol-2-amine.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1H-indol-2-amine?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1H-indol-2-amine is CN(C)CCc1c(N)[nH]c2ccccc12.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1H-indol-2-amine?
The InChIKey is QOZPAQBAODQDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-15(2)8-7-10-9-5-3-4-6-11(9)14-12(10)13/h3-6,14H,7-8,13H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-1H-indol-2-amine?
3-[2-(dimethylamino)ethyl]-1H-indol-2-amine has a molecular weight of 203.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1H-indol-2-amine is sourced from PubChem (CID 54239513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).