2-indol-1-yl-N,N-dimethylethanamine

C12H16N2 — CID 15893127

IUPAC2-indol-1-yl-N,N-dimethylethanamine
SMILESCN(C)CCn1ccc2ccccc21
InChIInChI=1S/C12H16N2/c1-13(2)9-10-14-8-7-11-5-3-4-6-12(11)14/h3-8H,9-10H2,1-2H3
InChIKeyPSHKCPACSIZILK-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.20
Rot. Bonds3

About 2-indol-1-yl-N,N-dimethylethanamine

2-indol-1-yl-N,N-dimethylethanamine (PubChem CID 15893127) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-indol-1-yl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-indol-1-yl-N,N-dimethylethanamine
PubChem CID15893127
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-indol-1-yl-N,N-dimethylethanamine
SMILESCN(C)CCn1ccc2ccccc21
InChIInChI=1S/C12H16N2/c1-13(2)9-10-14-8-7-11-5-3-4-6-12(11)14/h3-8H,9-10H2,1-2H3
InChIKeyPSHKCPACSIZILK-UHFFFAOYSA-N
XLogP2.20
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-N,N-dimethylethanamine?
The IUPAC name of 2-indol-1-yl-N,N-dimethylethanamine (CID 15893127) is 2-indol-1-yl-N,N-dimethylethanamine.
What is the SMILES notation for 2-indol-1-yl-N,N-dimethylethanamine?
The canonical SMILES for 2-indol-1-yl-N,N-dimethylethanamine is CN(C)CCn1ccc2ccccc21.
What is the InChIKey of 2-indol-1-yl-N,N-dimethylethanamine?
The InChIKey is PSHKCPACSIZILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-13(2)9-10-14-8-7-11-5-3-4-6-12(11)14/h3-8H,9-10H2,1-2H3.
What are the key properties of 2-indol-1-yl-N,N-dimethylethanamine?
2-indol-1-yl-N,N-dimethylethanamine has a molecular weight of 188.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-N,N-dimethylethanamine is sourced from PubChem (CID 15893127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).