1-[2-(2-butoxyethoxy)-3-pyridinyl]-N-methylethanamine

C14H24N2O2 — CID 114056646

IUPAC1-[2-(2-butoxyethoxy)-3-pyridinyl]-N-methylethanamine
SMILESCCCCOCCOc1ncccc1C(C)NC
InChIInChI=1S/C14H24N2O2/c1-4-5-9-17-10-11-18-14-13(12(2)15-3)7-6-8-16-14/h6-8,12,15H,4-5,9-11H2,1-3H3
InChIKeyXYSGAOAZGQLCEJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.56
Rot. Bonds9

About 1-[2-(2-butoxyethoxy)-3-pyridinyl]-N-methylethanamine

1-[2-(2-butoxyethoxy)-3-pyridinyl]-N-methylethanamine (PubChem CID 114056646) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[2-(2-butoxyethoxy)-3-pyridinyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2-butoxyethoxy)-3-pyridinyl]-N-methylethanamine
PubChem CID114056646
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[2-(2-butoxyethoxy)-3-pyridinyl]-N-methylethanamine
SMILESCCCCOCCOc1ncccc1C(C)NC
InChIInChI=1S/C14H24N2O2/c1-4-5-9-17-10-11-18-14-13(12(2)15-3)7-6-8-16-14/h6-8,12,15H,4-5,9-11H2,1-3H3
InChIKeyXYSGAOAZGQLCEJ-UHFFFAOYSA-N
XLogP2.56
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[2-(4,4,4-trifluorobutoxy)-3-pyridinyl]ethanamine
CID 114056754
(1R)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 55276659
2-(2-butoxyethoxy)pyridine-3-carbonitrile
CID 29001144
1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine
CID 43285770
1-[4-bromo-2-(2-butoxyethoxy)phenyl]-N-methylethanamine
CID 82976374
2-(2-butoxyethoxy)pyridine-3-sulfonyl chloride
CID 112572976
N-methyl-1-[2-(thiophen-2-ylmethoxy)-3-pyridinyl]ethanamine
CID 114056691
1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine
CID 61483273
3-butoxy-N-methyl-1-pyrimidin-2-ylpropan-1-amine
CID 115001546
1-(2-methoxy-3-pyridinyl)-N-methylpentan-1-amine
CID 105125538
3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115704472
2-ethoxy-3-propan-2-ylpyridine
CID 58551728

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethoxy)-3-pyridinyl]-N-methylethanamine?
The IUPAC name of 1-[2-(2-butoxyethoxy)-3-pyridinyl]-N-methylethanamine (CID 114056646) is 1-[2-(2-butoxyethoxy)-3-pyridinyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2-butoxyethoxy)-3-pyridinyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2-butoxyethoxy)-3-pyridinyl]-N-methylethanamine is CCCCOCCOc1ncccc1C(C)NC.
What is the InChIKey of 1-[2-(2-butoxyethoxy)-3-pyridinyl]-N-methylethanamine?
The InChIKey is XYSGAOAZGQLCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-5-9-17-10-11-18-14-13(12(2)15-3)7-6-8-16-14/h6-8,12,15H,4-5,9-11H2,1-3H3.
What are the key properties of 1-[2-(2-butoxyethoxy)-3-pyridinyl]-N-methylethanamine?
1-[2-(2-butoxyethoxy)-3-pyridinyl]-N-methylethanamine has a molecular weight of 252.36 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyethoxy)-3-pyridinyl]-N-methylethanamine is sourced from PubChem (CID 114056646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).