1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine

C12H23NO2 — CID 103029309

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)(C)OC)C1=COCCC1
InChIInChI=1S/C12H23NO2/c1-12(2,14-4)8-11(13-3)10-6-5-7-15-9-10/h9,11,13H,5-8H2,1-4H3
InChIKeyVJEPACWGZVSOJS-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.08
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine

1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine (PubChem CID 103029309) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine
PubChem CID103029309
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)(C)OC)C1=COCCC1
InChIInChI=1S/C12H23NO2/c1-12(2,14-4)8-11(13-3)10-6-5-7-15-9-10/h9,11,13H,5-8H2,1-4H3
InChIKeyVJEPACWGZVSOJS-UHFFFAOYSA-N
XLogP2.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-methylidene-1-(oxan-3-yl)pentan-1-amine
CID 66038290
1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 102928220
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 102928476
2-methoxy-N,2-dimethyl-6-methylideneoctan-4-amine
CID 103028503
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-amine
CID 103029310
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103029311
2-methoxy-N,2,7-trimethyloct-7-en-4-amine
CID 103029362
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
CID 103169433
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103169434
1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103169435
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine
CID 103169438
N-[2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]propan-1-amine
CID 103169439

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine (CID 103029309) is 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine is CNC(CC(C)(C)OC)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine?
The InChIKey is VJEPACWGZVSOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2,14-4)8-11(13-3)10-6-5-7-15-9-10/h9,11,13H,5-8H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 103029309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).