N-[1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethyl]propan-1-amine

C16H28N2O2 — CID 115942116

IUPACN-[1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCCOC(C)(C)C)cn1
InChIInChI=1S/C16H28N2O2/c1-6-9-17-13(2)15-8-7-14(12-18-15)19-10-11-20-16(3,4)5/h7-8,12-13,17H,6,9-11H2,1-5H3
InChIKeyOZFSDMYAZPSHBD-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.34
Rot. Bonds8

About N-[1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethyl]propan-1-amine

N-[1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethyl]propan-1-amine (PubChem CID 115942116) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethyl]propan-1-amine
PubChem CID115942116
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCCOC(C)(C)C)cn1
InChIInChI=1S/C16H28N2O2/c1-6-9-17-13(2)15-8-7-14(12-18-15)19-10-11-20-16(3,4)5/h7-8,12-13,17H,6,9-11H2,1-5H3
InChIKeyOZFSDMYAZPSHBD-UHFFFAOYSA-N
XLogP3.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethyl]propan-1-amine (CID 115942116) is N-[1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(OCCOC(C)(C)C)cn1.
What is the InChIKey of N-[1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethyl]propan-1-amine?
The InChIKey is OZFSDMYAZPSHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-9-17-13(2)15-8-7-14(12-18-15)19-10-11-20-16(3,4)5/h7-8,12-13,17H,6,9-11H2,1-5H3.
What are the key properties of N-[1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethyl]propan-1-amine?
N-[1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethyl]propan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 115942116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).