N-ethyl-N-[(5-ethynyl-2-pyridinyl)methyl]-2-methoxyethanamine

C13H18N2O — CID 89197233

IUPACN-ethyl-N-[(5-ethynyl-2-pyridinyl)methyl]-2-methoxyethanamine
SMILESC#Cc1ccc(CN(CC)CCOC)nc1
InChIInChI=1S/C13H18N2O/c1-4-12-6-7-13(14-10-12)11-15(5-2)8-9-16-3/h1,6-7,10H,5,8-9,11H2,2-3H3
InChIKeyYQALQPFRBVGZFC-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.53
Rot. Bonds6

About N-ethyl-N-[(5-ethynyl-2-pyridinyl)methyl]-2-methoxyethanamine

N-ethyl-N-[(5-ethynyl-2-pyridinyl)methyl]-2-methoxyethanamine (PubChem CID 89197233) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-ethyl-N-[(5-ethynyl-2-pyridinyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(5-ethynyl-2-pyridinyl)methyl]-2-methoxyethanamine
PubChem CID89197233
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-ethyl-N-[(5-ethynyl-2-pyridinyl)methyl]-2-methoxyethanamine
SMILESC#Cc1ccc(CN(CC)CCOC)nc1
InChIInChI=1S/C13H18N2O/c1-4-12-6-7-13(14-10-12)11-15(5-2)8-9-16-3/h1,6-7,10H,5,8-9,11H2,2-3H3
InChIKeyYQALQPFRBVGZFC-UHFFFAOYSA-N
XLogP1.53
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-ethynyl-2-pyridinyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-ethyl-N-[(5-ethynyl-2-pyridinyl)methyl]-2-methoxyethanamine (CID 89197233) is N-ethyl-N-[(5-ethynyl-2-pyridinyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-ethyl-N-[(5-ethynyl-2-pyridinyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-ethyl-N-[(5-ethynyl-2-pyridinyl)methyl]-2-methoxyethanamine is C#Cc1ccc(CN(CC)CCOC)nc1.
What is the InChIKey of N-ethyl-N-[(5-ethynyl-2-pyridinyl)methyl]-2-methoxyethanamine?
The InChIKey is YQALQPFRBVGZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-12-6-7-13(14-10-12)11-15(5-2)8-9-16-3/h1,6-7,10H,5,8-9,11H2,2-3H3.
What are the key properties of N-ethyl-N-[(5-ethynyl-2-pyridinyl)methyl]-2-methoxyethanamine?
N-ethyl-N-[(5-ethynyl-2-pyridinyl)methyl]-2-methoxyethanamine has a molecular weight of 218.30 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-ethynyl-2-pyridinyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 89197233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).