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

C11H21NO3 — CID 102647793

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2,2-diethoxyethanamine
SMILESCCOC(OCC)C(N)C1=CCCCO1
InChIInChI=1S/C11H21NO3/c1-3-13-11(14-4-2)10(12)9-7-5-6-8-15-9/h7,10-11H,3-6,8,12H2,1-2H3
InChIKeyLEUIYHYKBMXNPE-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.41
Rot. Bonds6

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

1-(3,4-dihydro-2H-pyran-6-yl)-2,2-diethoxyethanamine (PubChem CID 102647793) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-diethoxyethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2,2-diethoxyethanamine
PubChem CID102647793
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2,2-diethoxyethanamine
SMILESCCOC(OCC)C(N)C1=CCCCO1
InChIInChI=1S/C11H21NO3/c1-3-13-11(14-4-2)10(12)9-7-5-6-8-15-9/h7,10-11H,3-6,8,12H2,1-2H3
InChIKeyLEUIYHYKBMXNPE-UHFFFAOYSA-N
XLogP1.41
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxypentan-1-amine
CID 102648063
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxybutan-1-ol
CID 102654872
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3-methylbutan-1-ol
CID 102654880
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N-ethylbutan-1-amine
CID 102648061
2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102647531
1-(cyclohepten-1-yl)-2,2-diethoxyethanamine
CID 106653819
3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine
CID 102648122
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N,3,3-trimethylbutan-1-amine
CID 102648088
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methylbutan-1-amine
CID 102648095
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanamine
CID 102647873
3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-2-methylpropan-1-amine
CID 130604666
[3,4-dihydro-2H-pyran-6-yl(methoxy)methyl]-triethylsilane
CID 10014643

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-diethoxyethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-diethoxyethanamine (CID 102647793) is 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-diethoxyethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-diethoxyethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-diethoxyethanamine is CCOC(OCC)C(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-diethoxyethanamine?
The InChIKey is LEUIYHYKBMXNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-13-11(14-4-2)10(12)9-7-5-6-8-15-9/h7,10-11H,3-6,8,12H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-diethoxyethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-2,2-diethoxyethanamine has a molecular weight of 215.29 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-diethoxyethanamine is sourced from PubChem (CID 102647793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).