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

C11H18N2O — CID 83124422

IUPAC(1S)-1-(5-butan-2-yloxy-2-pyridinyl)ethanamine
SMILESCCC(C)Oc1ccc([C@H](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/t8?,9-/m0/s1
InChIKeyFXGGDCIPNNCMEX-GKAPJAKFSA-N
MW194.28 g/mol
LogP2.28
Rot. Bonds4

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

(1S)-1-(5-butan-2-yloxy-2-pyridinyl)ethanamine (PubChem CID 83124422) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (1S)-1-(5-butan-2-yloxy-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-butan-2-yloxy-2-pyridinyl)ethanamine
PubChem CID83124422
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(1S)-1-(5-butan-2-yloxy-2-pyridinyl)ethanamine
SMILESCCC(C)Oc1ccc([C@H](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/t8?,9-/m0/s1
InChIKeyFXGGDCIPNNCMEX-GKAPJAKFSA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-butan-2-yloxy-2-pyridinyl)ethanamine?
The IUPAC name of (1S)-1-(5-butan-2-yloxy-2-pyridinyl)ethanamine (CID 83124422) is (1S)-1-(5-butan-2-yloxy-2-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-1-(5-butan-2-yloxy-2-pyridinyl)ethanamine?
The canonical SMILES for (1S)-1-(5-butan-2-yloxy-2-pyridinyl)ethanamine is CCC(C)Oc1ccc([C@H](C)N)nc1.
What is the InChIKey of (1S)-1-(5-butan-2-yloxy-2-pyridinyl)ethanamine?
The InChIKey is FXGGDCIPNNCMEX-GKAPJAKFSA-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/t8?,9-/m0/s1.
What are the key properties of (1S)-1-(5-butan-2-yloxy-2-pyridinyl)ethanamine?
(1S)-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 (1S)-1-(5-butan-2-yloxy-2-pyridinyl)ethanamine is sourced from PubChem (CID 83124422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).