1-(1H-indol-3-yl)-N,N-dimethylmethanamine

C11H14N2 — CID 6890

IUPAC1-(1H-indol-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3
InChIKeyOCDGBSUVYYVKQZ-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.23
Rot. Bonds2

About 1-(1H-indol-3-yl)-N,N-dimethylmethanamine

1-(1H-indol-3-yl)-N,N-dimethylmethanamine (PubChem CID 6890) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-N,N-dimethylmethanamine
PubChem CID6890
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-(1H-indol-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3
InChIKeyOCDGBSUVYYVKQZ-UHFFFAOYSA-N
XLogP2.23
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(1H-indol-3-yl)-N,N-dimethylmethanamine (CID 6890) is 1-(1H-indol-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1H-indol-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1H-indol-3-yl)-N,N-dimethylmethanamine is CN(C)Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-N,N-dimethylmethanamine?
The InChIKey is OCDGBSUVYYVKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3.
What are the key properties of 1-(1H-indol-3-yl)-N,N-dimethylmethanamine?
1-(1H-indol-3-yl)-N,N-dimethylmethanamine has a molecular weight of 174.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 6890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).