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

C12H21NO2 — CID 103559785

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCOC1(CC(N)C2=COCCC2)CCC1
InChIInChI=1S/C12H21NO2/c1-14-12(5-3-6-12)8-11(13)10-4-2-7-15-9-10/h9,11H,2-8,13H2,1H3
InChIKeyAICPFRBYEOPGEP-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.97
Rot. Bonds4

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

1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanamine (PubChem CID 103559785) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanamine
PubChem CID103559785
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCOC1(CC(N)C2=COCCC2)CCC1
InChIInChI=1S/C12H21NO2/c1-14-12(5-3-6-12)8-11(13)10-4-2-7-15-9-10/h9,11H,2-8,13H2,1H3
InChIKeyAICPFRBYEOPGEP-UHFFFAOYSA-N
XLogP1.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.97
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-methylbutyl]hydrazine
CID 103025469
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
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103029311
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
CID 103169433
1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103169435
1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169436
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine
CID 103169437
1-(Cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556338
1-(1-Methoxycyclobutyl)-4-methylpent-4-en-2-amine
CID 103559547
1-(1-Methoxycyclobutyl)-4-methylidenehexan-2-amine
CID 103559559
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103559782

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanamine (CID 103559785) is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanamine is COC1(CC(N)C2=COCCC2)CCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanamine?
The InChIKey is AICPFRBYEOPGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-14-12(5-3-6-12)8-11(13)10-4-2-7-15-9-10/h9,11H,2-8,13H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanamine?
1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanamine has a molecular weight of 211.30 g/mol, XLogP of 1.97, 4 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-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 103559785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).