3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine

C14H22N2O2 — CID 134335610

IUPAC3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine
SMILESCC(C)(C)COc1ccc(OC2CC(N)C2)nc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)9-17-11-4-5-13(16-8-11)18-12-6-10(15)7-12/h4-5,8,10,12H,6-7,9,15H2,1-3H3
InChIKeyLTBQZTNGVLMDNW-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.38
Rot. Bonds4

About 3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine

3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine (PubChem CID 134335610) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine
PubChem CID134335610
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine
SMILESCC(C)(C)COc1ccc(OC2CC(N)C2)nc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)9-17-11-4-5-13(16-8-11)18-12-6-10(15)7-12/h4-5,8,10,12H,6-7,9,15H2,1-3H3
InChIKeyLTBQZTNGVLMDNW-UHFFFAOYSA-N
XLogP2.38
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-((2S)-2-Azetidinylmethoxy)-5-iodo-pyridine
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A-85380
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3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
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CID 10241442
TC-2559
CID 9823180
3-((S)-Azetidin-2-yloxy)-5-iodo-pyridine
CID 44297909

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine?
The IUPAC name of 3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine (CID 134335610) is 3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine.
What is the SMILES notation for 3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine?
The canonical SMILES for 3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine is CC(C)(C)COc1ccc(OC2CC(N)C2)nc1.
What is the InChIKey of 3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine?
The InChIKey is LTBQZTNGVLMDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)9-17-11-4-5-13(16-8-11)18-12-6-10(15)7-12/h4-5,8,10,12H,6-7,9,15H2,1-3H3.
What are the key properties of 3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine?
3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine has a molecular weight of 250.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine is sourced from PubChem (CID 134335610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).