2-cyclobutyl-1-(4-methoxyoxan-4-yl)-N-methylethanamine

C13H25NO2 — CID 116764713

IUPAC2-cyclobutyl-1-(4-methoxyoxan-4-yl)-N-methylethanamine
SMILESCNC(CC1CCC1)C1(OC)CCOCC1
InChIInChI=1S/C13H25NO2/c1-14-12(10-11-4-3-5-11)13(15-2)6-8-16-9-7-13/h11-12,14H,3-10H2,1-2H3
InChIKeyXYNFEIMSMILNNO-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.96
Rot. Bonds5

About 2-cyclobutyl-1-(4-methoxyoxan-4-yl)-N-methylethanamine

2-cyclobutyl-1-(4-methoxyoxan-4-yl)-N-methylethanamine (PubChem CID 116764713) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-cyclobutyl-1-(4-methoxyoxan-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclobutyl-1-(4-methoxyoxan-4-yl)-N-methylethanamine
PubChem CID116764713
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-cyclobutyl-1-(4-methoxyoxan-4-yl)-N-methylethanamine
SMILESCNC(CC1CCC1)C1(OC)CCOCC1
InChIInChI=1S/C13H25NO2/c1-14-12(10-11-4-3-5-11)13(15-2)6-8-16-9-7-13/h11-12,14H,3-10H2,1-2H3
InChIKeyXYNFEIMSMILNNO-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(4-methoxyoxan-4-yl)-N-methylethanamine?
The IUPAC name of 2-cyclobutyl-1-(4-methoxyoxan-4-yl)-N-methylethanamine (CID 116764713) is 2-cyclobutyl-1-(4-methoxyoxan-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-cyclobutyl-1-(4-methoxyoxan-4-yl)-N-methylethanamine?
The canonical SMILES for 2-cyclobutyl-1-(4-methoxyoxan-4-yl)-N-methylethanamine is CNC(CC1CCC1)C1(OC)CCOCC1.
What is the InChIKey of 2-cyclobutyl-1-(4-methoxyoxan-4-yl)-N-methylethanamine?
The InChIKey is XYNFEIMSMILNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-14-12(10-11-4-3-5-11)13(15-2)6-8-16-9-7-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-cyclobutyl-1-(4-methoxyoxan-4-yl)-N-methylethanamine?
2-cyclobutyl-1-(4-methoxyoxan-4-yl)-N-methylethanamine has a molecular weight of 227.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(4-methoxyoxan-4-yl)-N-methylethanamine is sourced from PubChem (CID 116764713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).