1-(oxetan-3-yloxy)-1-pyridin-2-ylbutan-2-amine

C12H18N2O2 — CID 102605618

IUPAC1-(oxetan-3-yloxy)-1-pyridin-2-ylbutan-2-amine
SMILESCCC(N)C(OC1COC1)c1ccccn1
InChIInChI=1S/C12H18N2O2/c1-2-10(13)12(16-9-7-15-8-9)11-5-3-4-6-14-11/h3-6,9-10,12H,2,7-8,13H2,1H3
InChIKeyHIDOGQDQZWJBFF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.28
Rot. Bonds5

About 1-(oxetan-3-yloxy)-1-pyridin-2-ylbutan-2-amine

1-(oxetan-3-yloxy)-1-pyridin-2-ylbutan-2-amine (PubChem CID 102605618) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(oxetan-3-yloxy)-1-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(oxetan-3-yloxy)-1-pyridin-2-ylbutan-2-amine
PubChem CID102605618
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(oxetan-3-yloxy)-1-pyridin-2-ylbutan-2-amine
SMILESCCC(N)C(OC1COC1)c1ccccn1
InChIInChI=1S/C12H18N2O2/c1-2-10(13)12(16-9-7-15-8-9)11-5-3-4-6-14-11/h3-6,9-10,12H,2,7-8,13H2,1H3
InChIKeyHIDOGQDQZWJBFF-UHFFFAOYSA-N
XLogP1.28
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylcyclohexyl)oxy-1-pyridin-2-ylbutan-2-amine
CID 64729371
1-(2,2-difluoroethoxy)-1-pyridin-2-ylbutan-2-amine
CID 82005131
1-(3-ethoxyphenoxy)-1-pyridin-2-ylbutan-2-amine
CID 62338255
1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine
CID 83133333
(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 122236499
4-(2-amino-1-pyridin-2-ylbutoxy)-3-fluorobenzonitrile
CID 107670268
1-(oxolan-3-yl)-2-pyridin-2-ylpropan-1-amine
CID 66446614
2-[1-(oxan-4-yl)propyl]pyridine
CID 135227952
2-(1-cyclopropylpropyl)pyridine
CID 154455035
2-amino-3-(methoxymethoxy)-3-pyridin-2-ylpropan-1-ol
CID 140762682
1-(oxan-4-yl)-2-pyridin-2-ylpropan-1-amine
CID 66448560
ethane;2-pentan-3-ylpyridine
CID 142883968

Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yloxy)-1-pyridin-2-ylbutan-2-amine?
The IUPAC name of 1-(oxetan-3-yloxy)-1-pyridin-2-ylbutan-2-amine (CID 102605618) is 1-(oxetan-3-yloxy)-1-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for 1-(oxetan-3-yloxy)-1-pyridin-2-ylbutan-2-amine?
The canonical SMILES for 1-(oxetan-3-yloxy)-1-pyridin-2-ylbutan-2-amine is CCC(N)C(OC1COC1)c1ccccn1.
What is the InChIKey of 1-(oxetan-3-yloxy)-1-pyridin-2-ylbutan-2-amine?
The InChIKey is HIDOGQDQZWJBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-10(13)12(16-9-7-15-8-9)11-5-3-4-6-14-11/h3-6,9-10,12H,2,7-8,13H2,1H3.
What are the key properties of 1-(oxetan-3-yloxy)-1-pyridin-2-ylbutan-2-amine?
1-(oxetan-3-yloxy)-1-pyridin-2-ylbutan-2-amine has a molecular weight of 222.29 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yloxy)-1-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 102605618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).