N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide

C13H17N3O — CID 110833567

IUPACN-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCCN)n(C)c2c1
InChIInChI=1S/C13H17N3O/c1-9-3-4-10-8-12(13(17)15-6-5-14)16(2)11(10)7-9/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,17)
InChIKeyRKKQTBCROQPXAB-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.18
Rot. Bonds3

About N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide

N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide (PubChem CID 110833567) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide
PubChem CID110833567
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCCN)n(C)c2c1
InChIInChI=1S/C13H17N3O/c1-9-3-4-10-8-12(13(17)15-6-5-14)16(2)11(10)7-9/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,17)
InChIKeyRKKQTBCROQPXAB-UHFFFAOYSA-N
XLogP1.18
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide (CID 110833567) is N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide is Cc1ccc2cc(C(=O)NCCN)n(C)c2c1.
What is the InChIKey of N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide?
The InChIKey is RKKQTBCROQPXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-3-4-10-8-12(13(17)15-6-5-14)16(2)11(10)7-9/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,17).
What are the key properties of N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide?
N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide is sourced from PubChem (CID 110833567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).