2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine

C11H18N2O — CID 102880746

IUPAC2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCOCCNCc1cncc(C)c1
InChIInChI=1S/C11H18N2O/c1-3-14-5-4-12-8-11-6-10(2)7-13-9-11/h6-7,9,12H,3-5,8H2,1-2H3
InChIKeyNEVLFPGXMIRIAJ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.52
Rot. Bonds6

About 2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine

2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 102880746) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID102880746
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCOCCNCc1cncc(C)c1
InChIInChI=1S/C11H18N2O/c1-3-14-5-4-12-8-11-6-10(2)7-13-9-11/h6-7,9,12H,3-5,8H2,1-2H3
InChIKeyNEVLFPGXMIRIAJ-UHFFFAOYSA-N
XLogP1.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880820
N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine
CID 102881006
N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 21271666
ethyl 3-[(5-methyl-3-pyridinyl)methylamino]propanoate
CID 102877449
2-cyclopentyloxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880866
1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol
CID 102881090
N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine
CID 102880836
N-[(5-methyl-3-pyridinyl)methyl]-4-methylsulfanylbutan-1-amine
CID 102881076
4,4,4-trifluoro-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine
CID 102880995
2-chloro-N-[(5-methyl-3-pyridinyl)methyl]prop-2-en-1-amine
CID 102881049
2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine
CID 43590757
2-methoxy-N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 102878015

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine (CID 102880746) is 2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine is CCOCCNCc1cncc(C)c1.
What is the InChIKey of 2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is NEVLFPGXMIRIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-14-5-4-12-8-11-6-10(2)7-13-9-11/h6-7,9,12H,3-5,8H2,1-2H3.
What are the key properties of 2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine?
2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 194.28 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 102880746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).