3-[(5-deuterio-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine

C10H16N2O — CID 175720817

IUPAC3-[(5-deuterio-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine
SMILES[2H]c1ccc(OCCCN(C)C)nc1
InChIInChI=1S/C10H16N2O/c1-12(2)8-5-9-13-10-6-3-4-7-11-10/h3-4,6-7H,5,8-9H2,1-2H3/i4D
InChIKeyXWMDESMDEMPPSO-QYKNYGDISA-N
MW181.26 g/mol
LogP1.41
Rot. Bonds5

About 3-[(5-deuterio-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine

3-[(5-deuterio-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine (PubChem CID 175720817) has the molecular formula C10H16N2O and a molecular weight of 181.26 g/mol. Its IUPAC name is 3-[(5-deuterio-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(5-deuterio-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine
PubChem CID175720817
Molecular FormulaC10H16N2O
Molecular Weight181.26 g/mol
Exact Mass181.13
IUPAC Name3-[(5-deuterio-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine
SMILES[2H]c1ccc(OCCCN(C)C)nc1
InChIInChI=1S/C10H16N2O/c1-12(2)8-5-9-13-10-6-3-4-7-11-10/h3-4,6-7H,5,8-9H2,1-2H3/i4D
InChIKeyXWMDESMDEMPPSO-QYKNYGDISA-N
XLogP1.41
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-deuterio-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[(5-deuterio-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine (CID 175720817) is 3-[(5-deuterio-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(5-deuterio-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[(5-deuterio-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine is [2H]c1ccc(OCCCN(C)C)nc1.
What is the InChIKey of 3-[(5-deuterio-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is XWMDESMDEMPPSO-QYKNYGDISA-N. The full InChI is InChI=1S/C10H16N2O/c1-12(2)8-5-9-13-10-6-3-4-7-11-10/h3-4,6-7H,5,8-9H2,1-2H3/i4D.
What are the key properties of 3-[(5-deuterio-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine?
3-[(5-deuterio-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 181.26 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-deuterio-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 175720817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).