1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-methylethanamine

C9H17NO2 — CID 102647273

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-methylethanamine
SMILESCNC(COC)C1=CCCCO1
InChIInChI=1S/C9H17NO2/c1-10-8(7-11-2)9-5-3-4-6-12-9/h5,8,10H,3-4,6-7H2,1-2H3
InChIKeyXDGMFRSQCYYVQN-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.92
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-methylethanamine

1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-methylethanamine (PubChem CID 102647273) 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-methoxy-N-methylethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-methylethanamine
PubChem CID102647273
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-methylethanamine
SMILESCNC(COC)C1=CCCCO1
InChIInChI=1S/C9H17NO2/c1-10-8(7-11-2)9-5-3-4-6-12-9/h5,8,10H,3-4,6-7H2,1-2H3
InChIKeyXDGMFRSQCYYVQN-UHFFFAOYSA-N
XLogP0.92
TPSA30.49 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 ≤ 50.92
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-methoxy-N-methylethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-methylethanamine (CID 102647273) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-methylethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-methylethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-methylethanamine is CNC(COC)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-methylethanamine?
The InChIKey is XDGMFRSQCYYVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10-8(7-11-2)9-5-3-4-6-12-9/h5,8,10H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-methylethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-methylethanamine has a molecular weight of 171.24 g/mol, XLogP of 0.92, 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-methoxy-N-methylethanamine is sourced from PubChem (CID 102647273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).