3-(2-aminoethyl)-2,3-dimethyl-1H-indol-2-amine

C12H19N3 — CID 175401471

IUPAC3-(2-aminoethyl)-2,3-dimethyl-1H-indol-2-amine
SMILESCC1(N)Nc2ccccc2C1(C)CCN
InChIInChI=1S/C12H19N3/c1-11(7-8-13)9-5-3-4-6-10(9)15-12(11,2)14/h3-6,15H,7-8,13-14H2,1-2H3
InChIKeyWVTGDZJKQUJKDE-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.39
Rot. Bonds2

About 3-(2-aminoethyl)-2,3-dimethyl-1H-indol-2-amine

3-(2-aminoethyl)-2,3-dimethyl-1H-indol-2-amine (PubChem CID 175401471) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2,3-dimethyl-1H-indol-2-amine.

Molecular Properties

Compound Name3-(2-aminoethyl)-2,3-dimethyl-1H-indol-2-amine
PubChem CID175401471
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name3-(2-aminoethyl)-2,3-dimethyl-1H-indol-2-amine
SMILESCC1(N)Nc2ccccc2C1(C)CCN
InChIInChI=1S/C12H19N3/c1-11(7-8-13)9-5-3-4-6-10(9)15-12(11,2)14/h3-6,15H,7-8,13-14H2,1-2H3
InChIKeyWVTGDZJKQUJKDE-UHFFFAOYSA-N
XLogP1.39
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2,3-dimethyl-1H-indol-2-amine?
The IUPAC name of 3-(2-aminoethyl)-2,3-dimethyl-1H-indol-2-amine (CID 175401471) is 3-(2-aminoethyl)-2,3-dimethyl-1H-indol-2-amine.
What is the SMILES notation for 3-(2-aminoethyl)-2,3-dimethyl-1H-indol-2-amine?
The canonical SMILES for 3-(2-aminoethyl)-2,3-dimethyl-1H-indol-2-amine is CC1(N)Nc2ccccc2C1(C)CCN.
What is the InChIKey of 3-(2-aminoethyl)-2,3-dimethyl-1H-indol-2-amine?
The InChIKey is WVTGDZJKQUJKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-11(7-8-13)9-5-3-4-6-10(9)15-12(11,2)14/h3-6,15H,7-8,13-14H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-2,3-dimethyl-1H-indol-2-amine?
3-(2-aminoethyl)-2,3-dimethyl-1H-indol-2-amine has a molecular weight of 205.30 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-2,3-dimethyl-1H-indol-2-amine is sourced from PubChem (CID 175401471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).