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

C11H18N2O — CID 83124338

IUPAC1-(5-butan-2-yloxy-2-pyridinyl)ethanamine
SMILESCCC(C)Oc1ccc(C(C)N)nc1
InChIInChI=1S/C11H18N2O/c1-4-8(2)14-10-5-6-11(9(3)12)13-7-10/h5-9H,4,12H2,1-3H3
InChIKeyFXGGDCIPNNCMEX-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.28
Rot. Bonds4

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

1-(5-butan-2-yloxy-2-pyridinyl)ethanamine (PubChem CID 83124338) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(5-butan-2-yloxy-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(5-butan-2-yloxy-2-pyridinyl)ethanamine
PubChem CID83124338
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(5-butan-2-yloxy-2-pyridinyl)ethanamine
SMILESCCC(C)Oc1ccc(C(C)N)nc1
InChIInChI=1S/C11H18N2O/c1-4-8(2)14-10-5-6-11(9(3)12)13-7-10/h5-9H,4,12H2,1-3H3
InChIKeyFXGGDCIPNNCMEX-UHFFFAOYSA-N
XLogP2.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.28
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
(1R)-1-[5-[(2S)-butan-2-yl]oxy-2-pyridinyl]ethanamine
CID 143563136
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine
CID 103937876
1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]ethanamine
CID 83127037
1-(5-propan-2-yloxy-2-pyridinyl)ethanamine
CID 67997141
1-(5-pentoxy-2-pyridinyl)ethanamine
CID 83123207
1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]propan-1-amine
CID 112584730
(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
CID 83124335
1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine
CID 79799813
1-(5-octoxy-2-pyridinyl)ethanamine
CID 83124085
1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine
CID 83128080
(1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine
CID 83127275

Frequently Asked Questions

What is the IUPAC name of 1-(5-butan-2-yloxy-2-pyridinyl)ethanamine?
The IUPAC name of 1-(5-butan-2-yloxy-2-pyridinyl)ethanamine (CID 83124338) is 1-(5-butan-2-yloxy-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(5-butan-2-yloxy-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(5-butan-2-yloxy-2-pyridinyl)ethanamine is CCC(C)Oc1ccc(C(C)N)nc1.
What is the InChIKey of 1-(5-butan-2-yloxy-2-pyridinyl)ethanamine?
The InChIKey is FXGGDCIPNNCMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-8(2)14-10-5-6-11(9(3)12)13-7-10/h5-9H,4,12H2,1-3H3.
What are the key properties of 1-(5-butan-2-yloxy-2-pyridinyl)ethanamine?
1-(5-butan-2-yloxy-2-pyridinyl)ethanamine has a molecular weight of 194.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butan-2-yloxy-2-pyridinyl)ethanamine is sourced from PubChem (CID 83124338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).