1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanamine

C13H23NO2 — CID 103169436

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanamine
SMILESCCOC1CC(CC(N)C2=COCCC2)C1
InChIInChI=1S/C13H23NO2/c1-2-16-12-6-10(7-12)8-13(14)11-4-3-5-15-9-11/h9-10,12-13H,2-8,14H2,1H3
InChIKeyYGSPCOCWDIUTDF-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.21
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanamine

1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanamine (PubChem CID 103169436) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanamine
PubChem CID103169436
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanamine
SMILESCCOC1CC(CC(N)C2=COCCC2)C1
InChIInChI=1S/C13H23NO2/c1-2-16-12-6-10(7-12)8-13(14)11-4-3-5-15-9-11/h9-10,12-13H,2-8,14H2,1H3
InChIKeyYGSPCOCWDIUTDF-UHFFFAOYSA-N
XLogP2.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-amine
CID 103029310
1-(Cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103163055
1-(Cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103163063
1-(3-Ethoxycyclobutyl)pent-4-en-2-amine
CID 103168312
1-(3-Ethoxycyclobutyl)hept-6-en-2-amine
CID 103168775
1-(3-Ethoxycyclobutyl)hex-5-en-2-amine
CID 103168782
1-(3-ethoxycyclobutyl)-N,4-dimethylpent-4-en-2-amine
CID 103169030
1-(3-Ethoxycyclobutyl)-4-methylpent-4-en-2-amine
CID 103169031
1-(3-ethoxycyclobutyl)-N,3-dimethylbut-3-en-2-amine
CID 103169045
1-(3-Ethoxycyclobutyl)-3-methylbut-3-en-2-amine
CID 103169046
1-(3-ethoxycyclobutyl)-N-methyl-4-methylidenehexan-2-amine
CID 103169053
1-(3-Ethoxycyclobutyl)-4-methylidenehexan-2-amine
CID 103169054

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanamine (CID 103169436) is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanamine is CCOC1CC(CC(N)C2=COCCC2)C1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanamine?
The InChIKey is YGSPCOCWDIUTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-16-12-6-10(7-12)8-13(14)11-4-3-5-15-9-11/h9-10,12-13H,2-8,14H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanamine?
1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanamine has a molecular weight of 225.33 g/mol, XLogP of 2.21, 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)-2-(3-ethoxycyclobutyl)ethanamine is sourced from PubChem (CID 103169436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).