N-methoxy-N-methyl-2-(6-methyl-3,4-dihydro-2H-pyran-3-yl)ethanamine

C10H19NO2 — CID 163987446

IUPACN-methoxy-N-methyl-2-(6-methyl-3,4-dihydro-2H-pyran-3-yl)ethanamine
SMILESCON(C)CCC1CC=C(C)OC1
InChIInChI=1S/C10H19NO2/c1-9-4-5-10(8-13-9)6-7-11(2)12-3/h4,10H,5-8H2,1-3H3
InChIKeyTXPIYVOBJIVXGL-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.81
Rot. Bonds4

About N-methoxy-N-methyl-2-(6-methyl-3,4-dihydro-2H-pyran-3-yl)ethanamine

N-methoxy-N-methyl-2-(6-methyl-3,4-dihydro-2H-pyran-3-yl)ethanamine (PubChem CID 163987446) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-(6-methyl-3,4-dihydro-2H-pyran-3-yl)ethanamine.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-(6-methyl-3,4-dihydro-2H-pyran-3-yl)ethanamine
PubChem CID163987446
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-methoxy-N-methyl-2-(6-methyl-3,4-dihydro-2H-pyran-3-yl)ethanamine
SMILESCON(C)CCC1CC=C(C)OC1
InChIInChI=1S/C10H19NO2/c1-9-4-5-10(8-13-9)6-7-11(2)12-3/h4,10H,5-8H2,1-3H3
InChIKeyTXPIYVOBJIVXGL-UHFFFAOYSA-N
XLogP1.81
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-(6-methyl-3,4-dihydro-2H-pyran-3-yl)ethanamine?
The IUPAC name of N-methoxy-N-methyl-2-(6-methyl-3,4-dihydro-2H-pyran-3-yl)ethanamine (CID 163987446) is N-methoxy-N-methyl-2-(6-methyl-3,4-dihydro-2H-pyran-3-yl)ethanamine.
What is the SMILES notation for N-methoxy-N-methyl-2-(6-methyl-3,4-dihydro-2H-pyran-3-yl)ethanamine?
The canonical SMILES for N-methoxy-N-methyl-2-(6-methyl-3,4-dihydro-2H-pyran-3-yl)ethanamine is CON(C)CCC1CC=C(C)OC1.
What is the InChIKey of N-methoxy-N-methyl-2-(6-methyl-3,4-dihydro-2H-pyran-3-yl)ethanamine?
The InChIKey is TXPIYVOBJIVXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9-4-5-10(8-13-9)6-7-11(2)12-3/h4,10H,5-8H2,1-3H3.
What are the key properties of N-methoxy-N-methyl-2-(6-methyl-3,4-dihydro-2H-pyran-3-yl)ethanamine?
N-methoxy-N-methyl-2-(6-methyl-3,4-dihydro-2H-pyran-3-yl)ethanamine has a molecular weight of 185.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-(6-methyl-3,4-dihydro-2H-pyran-3-yl)ethanamine is sourced from PubChem (CID 163987446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).