1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine

C13H25NO3 — CID 102928391

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
SMILESCCNC(CCOCCOC)C1=CCCCO1
InChIInChI=1S/C13H25NO3/c1-3-14-12(7-9-16-11-10-15-2)13-6-4-5-8-17-13/h6,12,14H,3-5,7-11H2,1-2H3
InChIKeyTXAUGZFPENLFBH-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.71
Rot. Bonds9

About 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 102928391) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
PubChem CID102928391
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
SMILESCCNC(CCOCCOC)C1=CCCCO1
InChIInChI=1S/C13H25NO3/c1-3-14-12(7-9-16-11-10-15-2)13-6-4-5-8-17-13/h6,12,14H,3-5,7-11H2,1-2H3
InChIKeyTXAUGZFPENLFBH-UHFFFAOYSA-N
XLogP1.71
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.71
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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Related Compounds

CID 103029532
CID 103029532
CID 103029533
CID 103029533
CID 102647260
CID 102647260
CID 102647261
CID 102647261
CID 102649135
CID 102649135
CID 103148506
CID 103148506
CID 103148683
CID 103148683
CID 103148720
CID 103148720
CID 103149273
CID 103149273
CID 103149519
CID 103149519
CID 103149609
CID 103149609
CID 103149834
CID 103149834

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine (CID 102928391) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine is CCNC(CCOCCOC)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is TXAUGZFPENLFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-14-12(7-9-16-11-10-15-2)13-6-4-5-8-17-13/h6,12,14H,3-5,7-11H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 1.71, 9 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)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 102928391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).