1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]ethanamine

C13H22N2O — CID 83127037

IUPAC1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]ethanamine
SMILESCC(C)CC(C)Oc1ccc(C(C)N)nc1
InChIInChI=1S/C13H22N2O/c1-9(2)7-10(3)16-12-5-6-13(11(4)14)15-8-12/h5-6,8-11H,7,14H2,1-4H3
InChIKeySKDGSBPPSFOYRI-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.91
Rot. Bonds5

About 1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]ethanamine

1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]ethanamine (PubChem CID 83127037) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]ethanamine
PubChem CID83127037
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]ethanamine
SMILESCC(C)CC(C)Oc1ccc(C(C)N)nc1
InChIInChI=1S/C13H22N2O/c1-9(2)7-10(3)16-12-5-6-13(11(4)14)15-8-12/h5-6,8-11H,7,14H2,1-4H3
InChIKeySKDGSBPPSFOYRI-UHFFFAOYSA-N
XLogP2.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]propan-1-amine
CID 112584730
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)ethanamine
CID 83124422
1-(5-butan-2-yloxy-2-pyridinyl)ethanamine
CID 83124338
(1R)-1-[5-[(2S)-butan-2-yl]oxy-2-pyridinyl]ethanamine
CID 143563136
1-(5-propan-2-yloxy-2-pyridinyl)ethanamine
CID 67997141
(1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine
CID 83127275
1-(5-pentoxy-2-pyridinyl)ethanamine
CID 83123207
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine
CID 103937876
(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
CID 83124335
1-(5-octoxy-2-pyridinyl)ethanamine
CID 83124085
1-[5-(2-methoxyethoxy)-2-pyridinyl]ethanamine
CID 83127602
(1S)-1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine
CID 83124084

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]ethanamine?
The IUPAC name of 1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]ethanamine (CID 83127037) is 1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]ethanamine is CC(C)CC(C)Oc1ccc(C(C)N)nc1.
What is the InChIKey of 1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]ethanamine?
The InChIKey is SKDGSBPPSFOYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)7-10(3)16-12-5-6-13(11(4)14)15-8-12/h5-6,8-11H,7,14H2,1-4H3.
What are the key properties of 1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]ethanamine?
1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]ethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83127037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).