2-(1H-indol-3-yl)-N,N-dimethylethanamine

C12H16N2 — CID 6089

IUPAC2-(1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2ccccc12
InChIInChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyDMULVCHRPCFFGV-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.27
Rot. Bonds3

About 2-(1H-indol-3-yl)-N,N-dimethylethanamine

2-(1H-indol-3-yl)-N,N-dimethylethanamine (PubChem CID 6089) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N,N-dimethylethanamine
PubChem CID6089
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-(1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2ccccc12
InChIInChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyDMULVCHRPCFFGV-UHFFFAOYSA-N
XLogP2.27
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 798
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Gramine
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Tryptophol
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Beta-Carboline
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(+-)-alpha-Methyltryptamine
CID 9287
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CID 4440

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-N,N-dimethylethanamine (CID 6089) is 2-(1H-indol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-N,N-dimethylethanamine is CN(C)CCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N,N-dimethylethanamine?
The InChIKey is DMULVCHRPCFFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 2-(1H-indol-3-yl)-N,N-dimethylethanamine?
2-(1H-indol-3-yl)-N,N-dimethylethanamine has a molecular weight of 188.27 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 6089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).