1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine

C16H28N2O2 — CID 115940129

IUPAC1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(OCCOCCC)cn1
InChIInChI=1S/C16H28N2O2/c1-4-9-17-15(6-3)16-8-7-14(13-18-16)20-12-11-19-10-5-2/h7-8,13,15,17H,4-6,9-12H2,1-3H3
InChIKeySLDINBFSUBZZCS-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.34
Rot. Bonds11

About 1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine

1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine (PubChem CID 115940129) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine
PubChem CID115940129
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(OCCOCCC)cn1
InChIInChI=1S/C16H28N2O2/c1-4-9-17-15(6-3)16-8-7-14(13-18-16)20-12-11-19-10-5-2/h7-8,13,15,17H,4-6,9-12H2,1-3H3
InChIKeySLDINBFSUBZZCS-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
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

1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584697
1-(5-methoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584694
1-(5-propan-2-yloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584724
(1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine
CID 113355207
N-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]propan-1-amine
CID 103178110
1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 115939962
N-[1-[5-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]ethyl]propan-1-amine
CID 106447905
N-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine
CID 115940028
1-(5-cyclobutyloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584886
1-(5-cyclopentyloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584681
1-[5-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]-N-methylpropan-1-amine
CID 103403032
1-[5-(oxolan-2-ylmethoxy)-2-pyridinyl]-N-propylpropan-1-amine
CID 115939887

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine (CID 115940129) is 1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccc(OCCOCCC)cn1.
What is the InChIKey of 1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine?
The InChIKey is SLDINBFSUBZZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-9-17-15(6-3)16-8-7-14(13-18-16)20-12-11-19-10-5-2/h7-8,13,15,17H,4-6,9-12H2,1-3H3.
What are the key properties of 1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine?
1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 3.34, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine is sourced from PubChem (CID 115940129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).