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

C13H25NO2 — CID 103029311

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)(C)OC)C1=COCCC1
InChIInChI=1S/C13H25NO2/c1-5-14-12(9-13(2,3)15-4)11-7-6-8-16-10-11/h10,12,14H,5-9H2,1-4H3
InChIKeyPXSNLFNICBXTJW-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.47
Rot. Bonds6

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

1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine (PubChem CID 103029311) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
PubChem CID103029311
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)(C)OC)C1=COCCC1
InChIInChI=1S/C13H25NO2/c1-5-14-12(9-13(2,3)15-4)11-7-6-8-16-10-11/h10,12,14H,5-9H2,1-4H3
InChIKeyPXSNLFNICBXTJW-UHFFFAOYSA-N
XLogP2.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-2-propan-2-yl-3,4-dihydro-2H-pyran-5-yl)-N-propan-2-ylcyclopropan-1-amine
CID 143811938
N-ethyl-3-methylidene-1-(oxan-3-yl)pentan-1-amine
CID 66038291
3-methylidene-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 66038529
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
N-ethyl-2-methoxy-2-methyl-6-methylideneoctan-4-amine
CID 103028505
2-methoxy-2-methyl-6-methylidene-N-propyloctan-4-amine
CID 103028506
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103029309
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-amine
CID 103029310
N-ethyl-2-methoxy-2,7-dimethyloct-7-en-4-amine
CID 103029364
2-methoxy-2,7-dimethyl-N-propyloct-7-en-4-amine
CID 103029365
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
CID 103169433

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine (CID 103029311) is 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine is CCNC(CC(C)(C)OC)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The InChIKey is PXSNLFNICBXTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-14-12(9-13(2,3)15-4)11-7-6-8-16-10-11/h10,12,14H,5-9H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 2.47, 6 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)-N-ethyl-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103029311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).