3-[(5-hexan-3-yl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine

C16H28N2O — CID 146357152

IUPAC3-[(5-hexan-3-yl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine
SMILESCCCC(CC)c1ccc(OCCCN(C)C)nc1
InChIInChI=1S/C16H28N2O/c1-5-8-14(6-2)15-9-10-16(17-13-15)19-12-7-11-18(3)4/h9-10,13-14H,5-8,11-12H2,1-4H3
InChIKeyZGSWWOMPVGBWGA-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.71
Rot. Bonds9

About 3-[(5-hexan-3-yl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine

3-[(5-hexan-3-yl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine (PubChem CID 146357152) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-[(5-hexan-3-yl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(5-hexan-3-yl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine
PubChem CID146357152
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-[(5-hexan-3-yl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine
SMILESCCCC(CC)c1ccc(OCCCN(C)C)nc1
InChIInChI=1S/C16H28N2O/c1-5-8-14(6-2)15-9-10-16(17-13-15)19-12-7-11-18(3)4/h9-10,13-14H,5-8,11-12H2,1-4H3
InChIKeyZGSWWOMPVGBWGA-UHFFFAOYSA-N
XLogP3.71
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-pentan-3-ylpyridine
CID 123545685
3-[(5-deuterio-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine
CID 175720817
3-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 146089357
N,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine
CID 123632919
3-[4-[5-(4-butan-2-ylphenyl)hexan-3-yl]phenoxy]-N,N-dimethylpropan-1-amine
CID 58969107
3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 126471087
N,N-dimethyl-3-[2-methyl-4-[1-(propylamino)ethyl]phenoxy]propan-1-amine
CID 114524933
1-(6-methoxy-3-pyridinyl)-N,N-dimethylpropan-1-amine
CID 20622434
CID 123144358
CID 123144358
N-[2-[[5-[(1R)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102740288
N-ethyl-N-[2-[(5-propan-2-yl-2-pyridinyl)oxy]ethyl]methanesulfonamide
CID 21057016
1-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone
CID 126469961

Frequently Asked Questions

What is the IUPAC name of 3-[(5-hexan-3-yl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[(5-hexan-3-yl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine (CID 146357152) is 3-[(5-hexan-3-yl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(5-hexan-3-yl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[(5-hexan-3-yl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine is CCCC(CC)c1ccc(OCCCN(C)C)nc1.
What is the InChIKey of 3-[(5-hexan-3-yl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is ZGSWWOMPVGBWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-8-14(6-2)15-9-10-16(17-13-15)19-12-7-11-18(3)4/h9-10,13-14H,5-8,11-12H2,1-4H3.
What are the key properties of 3-[(5-hexan-3-yl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine?
3-[(5-hexan-3-yl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.71, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hexan-3-yl-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 146357152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).