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

C9H17NO2 — CID 102647630

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine
SMILESCCOCC(N)C1=CCCCO1
InChIInChI=1S/C9H17NO2/c1-2-11-7-8(10)9-5-3-4-6-12-9/h5,8H,2-4,6-7,10H2,1H3
InChIKeyJPHNSQAKZJAZHN-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.04
Rot. Bonds4

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine (PubChem CID 102647630) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine
PubChem CID102647630
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine
SMILESCCOCC(N)C1=CCCCO1
InChIInChI=1S/C9H17NO2/c1-2-11-7-8(10)9-5-3-4-6-12-9/h5,8H,2-4,6-7,10H2,1H3
InChIKeyJPHNSQAKZJAZHN-UHFFFAOYSA-N
XLogP1.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.04
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-ethoxyethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine (CID 102647630) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine is CCOCC(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine?
The InChIKey is JPHNSQAKZJAZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-11-7-8(10)9-5-3-4-6-12-9/h5,8H,2-4,6-7,10H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine has a molecular weight of 171.24 g/mol, XLogP of 1.04, 4 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-ethoxyethanamine is sourced from PubChem (CID 102647630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).