N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine

C16H28N2O2 — CID 106907746

IUPACN-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCCOCCOCc1cccc(CNCCC)n1
InChIInChI=1S/C16H28N2O2/c1-3-5-10-19-11-12-20-14-16-8-6-7-15(18-16)13-17-9-4-2/h6-8,17H,3-5,9-14H2,1-2H3
InChIKeyVIQILCCONYYKGY-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.91
Rot. Bonds12

About N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine

N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 106907746) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
PubChem CID106907746
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCCOCCOCc1cccc(CNCCC)n1
InChIInChI=1S/C16H28N2O2/c1-3-5-10-19-11-12-20-14-16-8-6-7-15(18-16)13-17-9-4-2/h6-8,17H,3-5,9-14H2,1-2H3
InChIKeyVIQILCCONYYKGY-UHFFFAOYSA-N
XLogP2.91
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.91
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-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907788
N-[[6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106908609
N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106206173
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
2-methyl-N-[[6-(2-propoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106908350
6-(2-butoxyethoxymethyl)pyridin-2-amine
CID 79238771
2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 169173385
N-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907682
N-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 55058967
6-(pentoxymethyl)-N-propylpyridin-2-amine
CID 79238780
N-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908243
N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907547

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine (CID 106907746) is N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine is CCCCOCCOCc1cccc(CNCCC)n1.
What is the InChIKey of N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is VIQILCCONYYKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-5-10-19-11-12-20-14-16-8-6-7-15(18-16)13-17-9-4-2/h6-8,17H,3-5,9-14H2,1-2H3.
What are the key properties of N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine?
N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 2.91, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 106907746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).