3-[5-methyl-6-(3-methylcyclobutyl)-3-pyridinyl]oxetan-3-amine

C14H20N2O — CID 169151044

IUPAC3-[5-methyl-6-(3-methylcyclobutyl)-3-pyridinyl]oxetan-3-amine
SMILESCc1cc(C2(N)COC2)cnc1C1CC(C)C1
InChIInChI=1S/C14H20N2O/c1-9-3-11(4-9)13-10(2)5-12(6-16-13)14(15)7-17-8-14/h5-6,9,11H,3-4,7-8,15H2,1-2H3
InChIKeyXKFZYQUWPXGEHX-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.09
Rot. Bonds2

About 3-[5-methyl-6-(3-methylcyclobutyl)-3-pyridinyl]oxetan-3-amine

3-[5-methyl-6-(3-methylcyclobutyl)-3-pyridinyl]oxetan-3-amine (PubChem CID 169151044) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[5-methyl-6-(3-methylcyclobutyl)-3-pyridinyl]oxetan-3-amine.

Molecular Properties

Compound Name3-[5-methyl-6-(3-methylcyclobutyl)-3-pyridinyl]oxetan-3-amine
PubChem CID169151044
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-[5-methyl-6-(3-methylcyclobutyl)-3-pyridinyl]oxetan-3-amine
SMILESCc1cc(C2(N)COC2)cnc1C1CC(C)C1
InChIInChI=1S/C14H20N2O/c1-9-3-11(4-9)13-10(2)5-12(6-16-13)14(15)7-17-8-14/h5-6,9,11H,3-4,7-8,15H2,1-2H3
InChIKeyXKFZYQUWPXGEHX-UHFFFAOYSA-N
XLogP2.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-6-(3-methylcyclobutyl)-3-pyridinyl]oxetan-3-amine?
The IUPAC name of 3-[5-methyl-6-(3-methylcyclobutyl)-3-pyridinyl]oxetan-3-amine (CID 169151044) is 3-[5-methyl-6-(3-methylcyclobutyl)-3-pyridinyl]oxetan-3-amine.
What is the SMILES notation for 3-[5-methyl-6-(3-methylcyclobutyl)-3-pyridinyl]oxetan-3-amine?
The canonical SMILES for 3-[5-methyl-6-(3-methylcyclobutyl)-3-pyridinyl]oxetan-3-amine is Cc1cc(C2(N)COC2)cnc1C1CC(C)C1.
What is the InChIKey of 3-[5-methyl-6-(3-methylcyclobutyl)-3-pyridinyl]oxetan-3-amine?
The InChIKey is XKFZYQUWPXGEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9-3-11(4-9)13-10(2)5-12(6-16-13)14(15)7-17-8-14/h5-6,9,11H,3-4,7-8,15H2,1-2H3.
What are the key properties of 3-[5-methyl-6-(3-methylcyclobutyl)-3-pyridinyl]oxetan-3-amine?
3-[5-methyl-6-(3-methylcyclobutyl)-3-pyridinyl]oxetan-3-amine has a molecular weight of 232.33 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-6-(3-methylcyclobutyl)-3-pyridinyl]oxetan-3-amine is sourced from PubChem (CID 169151044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).