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

C11H21NO2 — CID 102649490

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxypropan-1-amine
SMILESCCCOCCC(N)C1=CCCCO1
InChIInChI=1S/C11H21NO2/c1-2-7-13-9-6-10(12)11-5-3-4-8-14-11/h5,10H,2-4,6-9,12H2,1H3
InChIKeyMHDQEXDTHDRRGQ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.82
Rot. Bonds6

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

1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxypropan-1-amine (PubChem CID 102649490) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxypropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxypropan-1-amine
PubChem CID102649490
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxypropan-1-amine
SMILESCCCOCCC(N)C1=CCCCO1
InChIInChI=1S/C11H21NO2/c1-2-7-13-9-6-10(12)11-5-3-4-8-14-11/h5,10H,2-4,6-9,12H2,1H3
InChIKeyMHDQEXDTHDRRGQ-UHFFFAOYSA-N
XLogP1.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.82
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)-3-propoxypropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxypropan-1-amine (CID 102649490) is 1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxypropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxypropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxypropan-1-amine is CCCOCCC(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxypropan-1-amine?
The InChIKey is MHDQEXDTHDRRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-7-13-9-6-10(12)11-5-3-4-8-14-11/h5,10H,2-4,6-9,12H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxypropan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxypropan-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.82, 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-6-yl)-3-propoxypropan-1-amine is sourced from PubChem (CID 102649490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).