1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-amine

C10H19NO2 — CID 102647508

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)C1=CCCCO1
InChIInChI=1S/C10H19NO2/c1-12-7-4-5-9(11)10-6-2-3-8-13-10/h6,9H,2-5,7-8,11H2,1H3
InChIKeyGQZVSFKOURFRMR-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.43
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-amine (PubChem CID 102647508) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-amine
PubChem CID102647508
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)C1=CCCCO1
InChIInChI=1S/C10H19NO2/c1-12-7-4-5-9(11)10-6-2-3-8-13-10/h6,9H,2-5,7-8,11H2,1H3
InChIKeyGQZVSFKOURFRMR-UHFFFAOYSA-N
XLogP1.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-amine (CID 102647508) is 1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-amine is COCCCC(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-amine?
The InChIKey is GQZVSFKOURFRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-12-7-4-5-9(11)10-6-2-3-8-13-10/h6,9H,2-5,7-8,11H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-amine has a molecular weight of 185.27 g/mol, XLogP of 1.43, 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-6-yl)-4-methoxybutan-1-amine is sourced from PubChem (CID 102647508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).