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

C11H19NO2 — CID 102648006

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxolan-3-yl)ethanamine
SMILESNC(CC1CCOC1)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c12-10(7-9-4-6-13-8-9)11-3-1-2-5-14-11/h3,9-10H,1-2,4-8,12H2
InChIKeyBLJNLNXJZUHDBK-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.43
Rot. Bonds3

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxolan-3-yl)ethanamine (PubChem CID 102648006) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxolan-3-yl)ethanamine
PubChem CID102648006
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxolan-3-yl)ethanamine
SMILESNC(CC1CCOC1)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c12-10(7-9-4-6-13-8-9)11-3-1-2-5-14-11/h3,9-10H,1-2,4-8,12H2
InChIKeyBLJNLNXJZUHDBK-UHFFFAOYSA-N
XLogP1.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxolan-3-yl)ethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxolan-3-yl)ethanamine (CID 102648006) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxolan-3-yl)ethanamine is NC(CC1CCOC1)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxolan-3-yl)ethanamine?
The InChIKey is BLJNLNXJZUHDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c12-10(7-9-4-6-13-8-9)11-3-1-2-5-14-11/h3,9-10H,1-2,4-8,12H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxolan-3-yl)ethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxolan-3-yl)ethanamine has a molecular weight of 197.28 g/mol, XLogP of 1.43, 3 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)-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 102648006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).