2-(5-deuterio-2,3-dimethyl-4-pyridinyl)ethanamine

C9H14N2 — CID 87957028

IUPAC2-(5-deuterio-2,3-dimethyl-4-pyridinyl)ethanamine
SMILES[2H]c1cnc(C)c(C)c1CCN
InChIInChI=1S/C9H14N2/c1-7-8(2)11-6-4-9(7)3-5-10/h4,6H,3,5,10H2,1-2H3/i4D
InChIKeyVZERNALFRLDIGH-QYKNYGDISA-N
MW151.23 g/mol
LogP1.20
Rot. Bonds2

About 2-(5-deuterio-2,3-dimethyl-4-pyridinyl)ethanamine

2-(5-deuterio-2,3-dimethyl-4-pyridinyl)ethanamine (PubChem CID 87957028) has the molecular formula C9H14N2 and a molecular weight of 151.23 g/mol. Its IUPAC name is 2-(5-deuterio-2,3-dimethyl-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-deuterio-2,3-dimethyl-4-pyridinyl)ethanamine
PubChem CID87957028
Molecular FormulaC9H14N2
Molecular Weight151.23 g/mol
Exact Mass151.12
IUPAC Name2-(5-deuterio-2,3-dimethyl-4-pyridinyl)ethanamine
SMILES[2H]c1cnc(C)c(C)c1CCN
InChIInChI=1S/C9H14N2/c1-7-8(2)11-6-4-9(7)3-5-10/h4,6H,3,5,10H2,1-2H3/i4D
InChIKeyVZERNALFRLDIGH-QYKNYGDISA-N
XLogP1.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-deuterio-2,3-dimethyl-4-pyridinyl)ethanamine?
The IUPAC name of 2-(5-deuterio-2,3-dimethyl-4-pyridinyl)ethanamine (CID 87957028) is 2-(5-deuterio-2,3-dimethyl-4-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-deuterio-2,3-dimethyl-4-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-deuterio-2,3-dimethyl-4-pyridinyl)ethanamine is [2H]c1cnc(C)c(C)c1CCN.
What is the InChIKey of 2-(5-deuterio-2,3-dimethyl-4-pyridinyl)ethanamine?
The InChIKey is VZERNALFRLDIGH-QYKNYGDISA-N. The full InChI is InChI=1S/C9H14N2/c1-7-8(2)11-6-4-9(7)3-5-10/h4,6H,3,5,10H2,1-2H3/i4D.
What are the key properties of 2-(5-deuterio-2,3-dimethyl-4-pyridinyl)ethanamine?
2-(5-deuterio-2,3-dimethyl-4-pyridinyl)ethanamine has a molecular weight of 151.23 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-deuterio-2,3-dimethyl-4-pyridinyl)ethanamine is sourced from PubChem (CID 87957028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).