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

C16H28N2O2 — CID 106908350

IUPAC2-methyl-N-[[6-(2-propoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCOCCOCc1cccc(CNCC(C)C)n1
InChIInChI=1S/C16H28N2O2/c1-4-8-19-9-10-20-13-16-7-5-6-15(18-16)12-17-11-14(2)3/h5-7,14,17H,4,8-13H2,1-3H3
InChIKeySHTHIODHMMYKST-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.77
Rot. Bonds11

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

2-methyl-N-[[6-(2-propoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 106908350) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-methyl-N-[[6-(2-propoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-(2-propoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
PubChem CID106908350
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-methyl-N-[[6-(2-propoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCOCCOCc1cccc(CNCC(C)C)n1
InChIInChI=1S/C16H28N2O2/c1-4-8-19-9-10-20-13-16-7-5-6-15(18-16)12-17-11-14(2)3/h5-7,14,17H,4,8-13H2,1-3H3
InChIKeySHTHIODHMMYKST-UHFFFAOYSA-N
XLogP2.77
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.77
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

2-methyl-N-[[6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907602
N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907746
N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 55058295
N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907788
2-methyl-N-[[6-[[methyl(propyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905697
N-[[6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106908609
N-methyl-N-[[6-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]pentan-3-amine
CID 106905878
2-methyl-N-[(6-phenylmethoxy-2-pyridinyl)methyl]propan-1-amine
CID 62292446
N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106206173
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62445450
2-methyl-N-[[6-(3-methylbut-3-enoxy)-2-pyridinyl]methyl]propan-1-amine
CID 114470549
2-methyl-N-[[3-(2-propoxyethylsulfanyl)phenyl]methyl]propan-1-amine
CID 106458210

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-(2-propoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[6-(2-propoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine (CID 106908350) is 2-methyl-N-[[6-(2-propoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[6-(2-propoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[6-(2-propoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine is CCCOCCOCc1cccc(CNCC(C)C)n1.
What is the InChIKey of 2-methyl-N-[[6-(2-propoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is SHTHIODHMMYKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-8-19-9-10-20-13-16-7-5-6-15(18-16)12-17-11-14(2)3/h5-7,14,17H,4,8-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[6-(2-propoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[6-(2-propoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 2.77, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-(2-propoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 106908350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).