N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine

C13H22N2O2 — CID 105074907

IUPACN-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccncc1OCCOCC
InChIInChI=1S/C13H22N2O2/c1-3-6-14-10-12-5-7-15-11-13(12)17-9-8-16-4-2/h5,7,11,14H,3-4,6,8-10H2,1-2H3
InChIKeyKFDKAVFNEJHIJR-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.00
Rot. Bonds9

About N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine

N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 105074907) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
PubChem CID105074907
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccncc1OCCOCC
InChIInChI=1S/C13H22N2O2/c1-3-6-14-10-12-5-7-15-11-13(12)17-9-8-16-4-2/h5,7,11,14H,3-4,6,8-10H2,1-2H3
InChIKeyKFDKAVFNEJHIJR-UHFFFAOYSA-N
XLogP2.00
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.00
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-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075013
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074911
N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine
CID 105063370
N-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075242
N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81253184
N-[[2-(2-ethoxyethoxy)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105390809
N-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075597
2-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114699562
N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074999
N-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine
CID 63323300
N-[[3-[3-(2-methoxyethoxy)propoxy]-4-pyridinyl]methyl]ethanamine
CID 103405777
N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine
CID 65176507

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine (CID 105074907) is N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccncc1OCCOCC.
What is the InChIKey of N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is KFDKAVFNEJHIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-6-14-10-12-5-7-15-11-13(12)17-9-8-16-4-2/h5,7,11,14H,3-4,6,8-10H2,1-2H3.
What are the key properties of N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine?
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 105074907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).