1-(3,6-dihydro-2H-pyran-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine

C12H21NO2 — CID 103991572

IUPAC1-(3,6-dihydro-2H-pyran-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
SMILESCOC1(CNCC2=CCCOC2)CCC1
InChIInChI=1S/C12H21NO2/c1-14-12(5-3-6-12)10-13-8-11-4-2-7-15-9-11/h4,13H,2-3,5-10H2,1H3
InChIKeyZQVGOBQTJGPPMR-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.49
Rot. Bonds5

About 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine

1-(3,6-dihydro-2H-pyran-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine (PubChem CID 103991572) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyran-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
PubChem CID103991572
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(3,6-dihydro-2H-pyran-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
SMILESCOC1(CNCC2=CCCOC2)CCC1
InChIInChI=1S/C12H21NO2/c1-14-12(5-3-6-12)10-13-8-11-4-2-7-15-9-11/h4,13H,2-3,5-10H2,1H3
InChIKeyZQVGOBQTJGPPMR-UHFFFAOYSA-N
XLogP1.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine?
The IUPAC name of 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine (CID 103991572) is 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine?
The canonical SMILES for 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine is COC1(CNCC2=CCCOC2)CCC1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine?
The InChIKey is ZQVGOBQTJGPPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-14-12(5-3-6-12)10-13-8-11-4-2-7-15-9-11/h4,13H,2-3,5-10H2,1H3.
What are the key properties of 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine?
1-(3,6-dihydro-2H-pyran-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine has a molecular weight of 211.30 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine is sourced from PubChem (CID 103991572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).