3-methoxy-N-methyl-1-(oxan-4-yl)butan-2-amine

C11H23NO2 — CID 79617524

IUPAC3-methoxy-N-methyl-1-(oxan-4-yl)butan-2-amine
SMILESCNC(CC1CCOCC1)C(C)OC
InChIInChI=1S/C11H23NO2/c1-9(13-3)11(12-2)8-10-4-6-14-7-5-10/h9-12H,4-8H2,1-3H3
InChIKeyIDUDIKNJXJVFCP-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.43
Rot. Bonds5

About 3-methoxy-N-methyl-1-(oxan-4-yl)butan-2-amine

3-methoxy-N-methyl-1-(oxan-4-yl)butan-2-amine (PubChem CID 79617524) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-methoxy-N-methyl-1-(oxan-4-yl)butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-1-(oxan-4-yl)butan-2-amine
PubChem CID79617524
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-methoxy-N-methyl-1-(oxan-4-yl)butan-2-amine
SMILESCNC(CC1CCOCC1)C(C)OC
InChIInChI=1S/C11H23NO2/c1-9(13-3)11(12-2)8-10-4-6-14-7-5-10/h9-12H,4-8H2,1-3H3
InChIKeyIDUDIKNJXJVFCP-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-N-methyl-3-(oxan-4-yl)-1-phenylpropan-2-amine
CID 116772559
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
1-(oxan-4-yl)propan-2-amine
CID 21054632
N-ethyl-1,1-difluoro-3-(oxan-4-yl)propan-2-amine
CID 103516564
[3,4-dimethyl-1-(oxan-4-yl)pentan-2-yl]hydrazine
CID 105298895
methyl 2-methyl-3-(oxan-4-yl)propanoate
CID 67765970
1-cyclopropyl-N,3-dimethylbutan-2-amine
CID 64903822
[4-methoxy-1-(oxan-4-yl)pentan-2-yl]hydrazine
CID 105266970
1-cyclobutyl-N-methyl-2-(oxan-4-yl)ethanamine
CID 64986800
CID 88879043
CID 88879043
[3-ethoxy-4-methyl-1-(oxan-4-yl)pentan-2-yl]hydrazine
CID 105272334
(2R)-N-chloro-1-(oxan-4-yl)propan-2-amine
CID 90382614

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-1-(oxan-4-yl)butan-2-amine?
The IUPAC name of 3-methoxy-N-methyl-1-(oxan-4-yl)butan-2-amine (CID 79617524) is 3-methoxy-N-methyl-1-(oxan-4-yl)butan-2-amine.
What is the SMILES notation for 3-methoxy-N-methyl-1-(oxan-4-yl)butan-2-amine?
The canonical SMILES for 3-methoxy-N-methyl-1-(oxan-4-yl)butan-2-amine is CNC(CC1CCOCC1)C(C)OC.
What is the InChIKey of 3-methoxy-N-methyl-1-(oxan-4-yl)butan-2-amine?
The InChIKey is IDUDIKNJXJVFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(13-3)11(12-2)8-10-4-6-14-7-5-10/h9-12H,4-8H2,1-3H3.
What are the key properties of 3-methoxy-N-methyl-1-(oxan-4-yl)butan-2-amine?
3-methoxy-N-methyl-1-(oxan-4-yl)butan-2-amine has a molecular weight of 201.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-1-(oxan-4-yl)butan-2-amine is sourced from PubChem (CID 79617524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).