N-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine

C14H24N2O2 — CID 55058967

IUPACN-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCCCOCCOc1cccc(CNCC)n1
InChIInChI=1S/C14H24N2O2/c1-3-5-9-17-10-11-18-14-8-6-7-13(16-14)12-15-4-2/h6-8,15H,3-5,9-12H2,1-2H3
InChIKeySPGOOYLKPVBYGW-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.39
Rot. Bonds10

About N-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine

N-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine (PubChem CID 55058967) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine
PubChem CID55058967
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCCCOCCOc1cccc(CNCC)n1
InChIInChI=1S/C14H24N2O2/c1-3-5-9-17-10-11-18-14-8-6-7-13(16-14)12-15-4-2/h6-8,15H,3-5,9-12H2,1-2H3
InChIKeySPGOOYLKPVBYGW-UHFFFAOYSA-N
XLogP2.39
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.39
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-[[6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methyl]ethanamine
CID 103405635
N-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine
CID 66226819
N-[(6-but-3-enoxy-2-pyridinyl)methyl]ethanamine
CID 62289501
N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine
CID 62291321
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-6-fluoropyridine
CID 104561460
N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 55058295
1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine
CID 62291660
N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907746
2,6-dibutoxypyridine
CID 67437244
N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine
CID 55058638
N,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine
CID 62298223
N-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 66451575

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine (CID 55058967) is N-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine is CCCCOCCOc1cccc(CNCC)n1.
What is the InChIKey of N-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine?
The InChIKey is SPGOOYLKPVBYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-5-9-17-10-11-18-14-8-6-7-13(16-14)12-15-4-2/h6-8,15H,3-5,9-12H2,1-2H3.
What are the key properties of N-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine?
N-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine has a molecular weight of 252.36 g/mol, XLogP of 2.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 55058967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).