1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine

C13H22N2O — CID 112584697

IUPAC1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(OCC)cn1
InChIInChI=1S/C13H22N2O/c1-4-9-14-12(5-2)13-8-7-11(10-15-13)16-6-3/h7-8,10,12,14H,4-6,9H2,1-3H3
InChIKeyQIGVGFAHCRAEJJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.93
Rot. Bonds7

About 1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine

1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine (PubChem CID 112584697) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine
PubChem CID112584697
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(OCC)cn1
InChIInChI=1S/C13H22N2O/c1-4-9-14-12(5-2)13-8-7-11(10-15-13)16-6-3/h7-8,10,12,14H,4-6,9H2,1-3H3
InChIKeyQIGVGFAHCRAEJJ-UHFFFAOYSA-N
XLogP2.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584694
1-(5-propan-2-yloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584724
1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine
CID 115940129
1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 115939962
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-(oxolan-2-ylmethoxy)-2-pyridinyl]-N-propylpropan-1-amine
CID 115939887
1-[5-(2-methylcyclohexyl)oxy-2-pyridinyl]-N-propylpropan-1-amine
CID 115939879
N,N-dipropyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939175
N-cyclopropyl-N-methyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 112584130
1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine
CID 115939163

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine?
The IUPAC name of 1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine (CID 112584697) is 1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine is CCCNC(CC)c1ccc(OCC)cn1.
What is the InChIKey of 1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine?
The InChIKey is QIGVGFAHCRAEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-9-14-12(5-2)13-8-7-11(10-15-13)16-6-3/h7-8,10,12,14H,4-6,9H2,1-3H3.
What are the key properties of 1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine?
1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine is sourced from PubChem (CID 112584697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).