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

C10H17NO2 — CID 102647558

IUPAC3,4-dihydro-2H-pyran-6-yl(oxolan-3-yl)methanamine
SMILESNC(C1=CCCCO1)C1CCOC1
InChIInChI=1S/C10H17NO2/c11-10(8-4-6-12-7-8)9-3-1-2-5-13-9/h3,8,10H,1-2,4-7,11H2
InChIKeyXCMNYWUEQVZELG-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.04
Rot. Bonds2

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

3,4-dihydro-2H-pyran-6-yl(oxolan-3-yl)methanamine (PubChem CID 102647558) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl(oxolan-3-yl)methanamine
PubChem CID102647558
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3,4-dihydro-2H-pyran-6-yl(oxolan-3-yl)methanamine
SMILESNC(C1=CCCCO1)C1CCOC1
InChIInChI=1S/C10H17NO2/c11-10(8-4-6-12-7-8)9-3-1-2-5-13-9/h3,8,10H,1-2,4-7,11H2
InChIKeyXCMNYWUEQVZELG-UHFFFAOYSA-N
XLogP1.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl(oxolan-3-yl)methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl(oxolan-3-yl)methanamine (CID 102647558) is 3,4-dihydro-2H-pyran-6-yl(oxolan-3-yl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl(oxolan-3-yl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl(oxolan-3-yl)methanamine is NC(C1=CCCCO1)C1CCOC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl(oxolan-3-yl)methanamine?
The InChIKey is XCMNYWUEQVZELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c11-10(8-4-6-12-7-8)9-3-1-2-5-13-9/h3,8,10H,1-2,4-7,11H2.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl(oxolan-3-yl)methanamine?
3,4-dihydro-2H-pyran-6-yl(oxolan-3-yl)methanamine has a molecular weight of 183.25 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl(oxolan-3-yl)methanamine is sourced from PubChem (CID 102647558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).