1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxybutan-1-amine

C12H23NO2 — CID 102648104

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxybutan-1-amine
SMILESCCC(CC)(OC)C(N)C1=CCCCO1
InChIInChI=1S/C12H23NO2/c1-4-12(5-2,14-3)11(13)10-8-6-7-9-15-10/h8,11H,4-7,9,13H2,1-3H3
InChIKeyJKEJSZZFQOZNGW-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.21
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxybutan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxybutan-1-amine (PubChem CID 102648104) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxybutan-1-amine
PubChem CID102648104
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxybutan-1-amine
SMILESCCC(CC)(OC)C(N)C1=CCCCO1
InChIInChI=1S/C12H23NO2/c1-4-12(5-2,14-3)11(13)10-8-6-7-9-15-10/h8,11H,4-7,9,13H2,1-3H3
InChIKeyJKEJSZZFQOZNGW-UHFFFAOYSA-N
XLogP2.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.21
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-ethyl-2-methoxybutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxybutan-1-amine (CID 102648104) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxybutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxybutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxybutan-1-amine is CCC(CC)(OC)C(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxybutan-1-amine?
The InChIKey is JKEJSZZFQOZNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-12(5-2,14-3)11(13)10-8-6-7-9-15-10/h8,11H,4-7,9,13H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxybutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxybutan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 2.21, 5 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-ethyl-2-methoxybutan-1-amine is sourced from PubChem (CID 102648104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).