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

C12H21NO2 — CID 102648081

IUPAC2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine
SMILESCCOC(C1CC1)C(N)C1=CCCCO1
InChIInChI=1S/C12H21NO2/c1-2-14-12(9-6-7-9)11(13)10-5-3-4-8-15-10/h5,9,11-12H,2-4,6-8,13H2,1H3
InChIKeyZLWYHOADXROZFO-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.82
Rot. Bonds5

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

2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine (PubChem CID 102648081) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine
PubChem CID102648081
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine
SMILESCCOC(C1CC1)C(N)C1=CCCCO1
InChIInChI=1S/C12H21NO2/c1-2-14-12(9-6-7-9)11(13)10-5-3-4-8-15-10/h5,9,11-12H,2-4,6-8,13H2,1H3
InChIKeyZLWYHOADXROZFO-UHFFFAOYSA-N
XLogP1.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine?
The IUPAC name of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine (CID 102648081) is 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine?
The canonical SMILES for 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine is CCOC(C1CC1)C(N)C1=CCCCO1.
What is the InChIKey of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine?
The InChIKey is ZLWYHOADXROZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-14-12(9-6-7-9)11(13)10-5-3-4-8-15-10/h5,9,11-12H,2-4,6-8,13H2,1H3.
What are the key properties of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine?
2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine has a molecular weight of 211.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine is sourced from PubChem (CID 102648081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).