1,1-dideuterio-N,N-dimethyl-2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)ethanamine

C12H16N2 — CID 163933094

IUPAC1,1-dideuterio-N,N-dimethyl-2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)ethanamine
SMILES[2H]c1[nH]c2c([2H])c([2H])c([2H])c([2H])c2c1CC([2H])([2H])N(C)C
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/i3D,4D,5D,6D,8D2,9D
InChIKeyDMULVCHRPCFFGV-SKTQUXPZSA-N
MW195.32 g/mol
LogP2.27
Rot. Bonds3

About 1,1-dideuterio-N,N-dimethyl-2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)ethanamine

1,1-dideuterio-N,N-dimethyl-2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)ethanamine (PubChem CID 163933094) has the molecular formula C12H16N2 and a molecular weight of 195.32 g/mol. Its IUPAC name is 1,1-dideuterio-N,N-dimethyl-2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name1,1-dideuterio-N,N-dimethyl-2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)ethanamine
PubChem CID163933094
Molecular FormulaC12H16N2
Molecular Weight195.32 g/mol
Exact Mass195.18
IUPAC Name1,1-dideuterio-N,N-dimethyl-2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)ethanamine
SMILES[2H]c1[nH]c2c([2H])c([2H])c([2H])c([2H])c2c1CC([2H])([2H])N(C)C
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/i3D,4D,5D,6D,8D2,9D
InChIKeyDMULVCHRPCFFGV-SKTQUXPZSA-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 ≤ 500195.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dideuterio-N,N-dimethyl-2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)ethanamine?
The IUPAC name of 1,1-dideuterio-N,N-dimethyl-2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)ethanamine (CID 163933094) is 1,1-dideuterio-N,N-dimethyl-2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 1,1-dideuterio-N,N-dimethyl-2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)ethanamine?
The canonical SMILES for 1,1-dideuterio-N,N-dimethyl-2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)ethanamine is [2H]c1[nH]c2c([2H])c([2H])c([2H])c([2H])c2c1CC([2H])([2H])N(C)C.
What is the InChIKey of 1,1-dideuterio-N,N-dimethyl-2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)ethanamine?
The InChIKey is DMULVCHRPCFFGV-SKTQUXPZSA-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/i3D,4D,5D,6D,8D2,9D.
What are the key properties of 1,1-dideuterio-N,N-dimethyl-2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)ethanamine?
1,1-dideuterio-N,N-dimethyl-2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)ethanamine has a molecular weight of 195.32 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 1,1-dideuterio-N,N-dimethyl-2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 163933094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).