N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2-methoxyethoxy)ethanamine

C11H21NO3 — CID 62064763

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCCNCC1CCC=CO1
InChIInChI=1S/C11H21NO3/c1-13-8-9-14-7-5-12-10-11-4-2-3-6-15-11/h3,6,11-12H,2,4-5,7-10H2,1H3
InChIKeyLSJRJSSORIVJIW-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.93
Rot. Bonds8

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2-methoxyethoxy)ethanamine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2-methoxyethoxy)ethanamine (PubChem CID 62064763) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2-methoxyethoxy)ethanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2-methoxyethoxy)ethanamine
PubChem CID62064763
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCCNCC1CCC=CO1
InChIInChI=1S/C11H21NO3/c1-13-8-9-14-7-5-12-10-11-4-2-3-6-15-11/h3,6,11-12H,2,4-5,7-10H2,1H3
InChIKeyLSJRJSSORIVJIW-UHFFFAOYSA-N
XLogP0.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2-methoxyethoxy)ethanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2-methoxyethoxy)ethanamine (CID 62064763) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2-methoxyethoxy)ethanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2-methoxyethoxy)ethanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2-methoxyethoxy)ethanamine is COCCOCCNCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2-methoxyethoxy)ethanamine?
The InChIKey is LSJRJSSORIVJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-13-8-9-14-7-5-12-10-11-4-2-3-6-15-11/h3,6,11-12H,2,4-5,7-10H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2-methoxyethoxy)ethanamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2-methoxyethoxy)ethanamine has a molecular weight of 215.29 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2-methoxyethoxy)ethanamine is sourced from PubChem (CID 62064763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).