1-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-amine

C12H20N2O — CID 59849562

IUPAC1-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-amine
SMILESCCC(N)COc1cncc(C(C)C)c1
InChIInChI=1S/C12H20N2O/c1-4-11(13)8-15-12-5-10(9(2)3)6-14-7-12/h5-7,9,11H,4,8,13H2,1-3H3
InChIKeySTMKFRANNWFMIV-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.32
Rot. Bonds5

About 1-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-amine

1-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-amine (PubChem CID 59849562) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-amine.

Molecular Properties

Compound Name1-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-amine
PubChem CID59849562
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-amine
SMILESCCC(N)COc1cncc(C(C)C)c1
InChIInChI=1S/C12H20N2O/c1-4-11(13)8-15-12-5-10(9(2)3)6-14-7-12/h5-7,9,11H,4,8,13H2,1-3H3
InChIKeySTMKFRANNWFMIV-UHFFFAOYSA-N
XLogP2.32
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-amine?
The IUPAC name of 1-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-amine (CID 59849562) is 1-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-amine.
What is the SMILES notation for 1-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-amine?
The canonical SMILES for 1-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-amine is CCC(N)COc1cncc(C(C)C)c1.
What is the InChIKey of 1-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-amine?
The InChIKey is STMKFRANNWFMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-11(13)8-15-12-5-10(9(2)3)6-14-7-12/h5-7,9,11H,4,8,13H2,1-3H3.
What are the key properties of 1-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-amine?
1-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-amine has a molecular weight of 208.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-amine is sourced from PubChem (CID 59849562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).