2-pyridin-2-yl-N-(trideuterio(113C)methyl)ethanamine

C8H12N2 — CID 163322530

IUPAC2-pyridin-2-yl-N-(trideuterio(113C)methyl)ethanamine
SMILES[2H][13C]([2H])([2H])NCCc1ccccn1
InChIInChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3/i1+1D3
InChIKeyUUQMNUMQCIQDMZ-KQORAOOSSA-N
MW140.21 g/mol
LogP0.84
Rot. Bonds4

About 2-pyridin-2-yl-N-(trideuterio(113C)methyl)ethanamine

2-pyridin-2-yl-N-(trideuterio(113C)methyl)ethanamine (PubChem CID 163322530) has the molecular formula C8H12N2 and a molecular weight of 140.21 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-(trideuterio(113C)methyl)ethanamine.

Molecular Properties

Compound Name2-pyridin-2-yl-N-(trideuterio(113C)methyl)ethanamine
PubChem CID163322530
Molecular FormulaC8H12N2
Molecular Weight140.21 g/mol
Exact Mass140.12
IUPAC Name2-pyridin-2-yl-N-(trideuterio(113C)methyl)ethanamine
SMILES[2H][13C]([2H])([2H])NCCc1ccccn1
InChIInChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3/i1+1D3
InChIKeyUUQMNUMQCIQDMZ-KQORAOOSSA-N
XLogP0.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-(trideuterio(113C)methyl)ethanamine?
The IUPAC name of 2-pyridin-2-yl-N-(trideuterio(113C)methyl)ethanamine (CID 163322530) is 2-pyridin-2-yl-N-(trideuterio(113C)methyl)ethanamine.
What is the SMILES notation for 2-pyridin-2-yl-N-(trideuterio(113C)methyl)ethanamine?
The canonical SMILES for 2-pyridin-2-yl-N-(trideuterio(113C)methyl)ethanamine is [2H][13C]([2H])([2H])NCCc1ccccn1.
What is the InChIKey of 2-pyridin-2-yl-N-(trideuterio(113C)methyl)ethanamine?
The InChIKey is UUQMNUMQCIQDMZ-KQORAOOSSA-N. The full InChI is InChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3/i1+1D3.
What are the key properties of 2-pyridin-2-yl-N-(trideuterio(113C)methyl)ethanamine?
2-pyridin-2-yl-N-(trideuterio(113C)methyl)ethanamine has a molecular weight of 140.21 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-N-(trideuterio(113C)methyl)ethanamine is sourced from PubChem (CID 163322530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).