1-(5-propan-2-yloxy-2-pyridinyl)ethanamine

C10H16N2O — CID 67997141

IUPAC1-(5-propan-2-yloxy-2-pyridinyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)N)nc1
InChIInChI=1S/C10H16N2O/c1-7(2)13-9-4-5-10(8(3)11)12-6-9/h4-8H,11H2,1-3H3
InChIKeyKBZJWQLTKNXUPZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.89
Rot. Bonds3

About 1-(5-propan-2-yloxy-2-pyridinyl)ethanamine

1-(5-propan-2-yloxy-2-pyridinyl)ethanamine (PubChem CID 67997141) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(5-propan-2-yloxy-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(5-propan-2-yloxy-2-pyridinyl)ethanamine
PubChem CID67997141
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(5-propan-2-yloxy-2-pyridinyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)N)nc1
InChIInChI=1S/C10H16N2O/c1-7(2)13-9-4-5-10(8(3)11)12-6-9/h4-8H,11H2,1-3H3
InChIKeyKBZJWQLTKNXUPZ-UHFFFAOYSA-N
XLogP1.89
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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-(4-methylpentan-2-yloxy)-2-pyridinyl]ethanamine
CID 83127037
(1S)-1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine
CID 83124084
1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine
CID 83123998
1-(5-pentoxy-2-pyridinyl)ethanamine
CID 83123207
1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine
CID 83128080
(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
CID 83124335
1-(5-octoxy-2-pyridinyl)ethanamine
CID 83124085
(1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine
CID 83127275
1-[5-(2-methoxyethoxy)-2-pyridinyl]ethanamine
CID 83127602

Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-yloxy-2-pyridinyl)ethanamine?
The IUPAC name of 1-(5-propan-2-yloxy-2-pyridinyl)ethanamine (CID 67997141) is 1-(5-propan-2-yloxy-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(5-propan-2-yloxy-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(5-propan-2-yloxy-2-pyridinyl)ethanamine is CC(C)Oc1ccc(C(C)N)nc1.
What is the InChIKey of 1-(5-propan-2-yloxy-2-pyridinyl)ethanamine?
The InChIKey is KBZJWQLTKNXUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)13-9-4-5-10(8(3)11)12-6-9/h4-8H,11H2,1-3H3.
What are the key properties of 1-(5-propan-2-yloxy-2-pyridinyl)ethanamine?
1-(5-propan-2-yloxy-2-pyridinyl)ethanamine has a molecular weight of 180.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-yloxy-2-pyridinyl)ethanamine is sourced from PubChem (CID 67997141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).