5-ethyl-3,4-di(propan-2-yl)-2H-pyran-2-amine

C13H23NO — CID 151054046

IUPAC5-ethyl-3,4-di(propan-2-yl)-2H-pyran-2-amine
SMILESCCC1=COC(N)C(C(C)C)=C1C(C)C
InChIInChI=1S/C13H23NO/c1-6-10-7-15-13(14)12(9(4)5)11(10)8(2)3/h7-9,13H,6,14H2,1-5H3
InChIKeyMESPEYGVPQUJPM-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.20
Rot. Bonds3

About 5-ethyl-3,4-di(propan-2-yl)-2H-pyran-2-amine

5-ethyl-3,4-di(propan-2-yl)-2H-pyran-2-amine (PubChem CID 151054046) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 5-ethyl-3,4-di(propan-2-yl)-2H-pyran-2-amine.

Molecular Properties

Compound Name5-ethyl-3,4-di(propan-2-yl)-2H-pyran-2-amine
PubChem CID151054046
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name5-ethyl-3,4-di(propan-2-yl)-2H-pyran-2-amine
SMILESCCC1=COC(N)C(C(C)C)=C1C(C)C
InChIInChI=1S/C13H23NO/c1-6-10-7-15-13(14)12(9(4)5)11(10)8(2)3/h7-9,13H,6,14H2,1-5H3
InChIKeyMESPEYGVPQUJPM-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,4-di(propan-2-yl)-2H-pyran-2-amine?
The IUPAC name of 5-ethyl-3,4-di(propan-2-yl)-2H-pyran-2-amine (CID 151054046) is 5-ethyl-3,4-di(propan-2-yl)-2H-pyran-2-amine.
What is the SMILES notation for 5-ethyl-3,4-di(propan-2-yl)-2H-pyran-2-amine?
The canonical SMILES for 5-ethyl-3,4-di(propan-2-yl)-2H-pyran-2-amine is CCC1=COC(N)C(C(C)C)=C1C(C)C.
What is the InChIKey of 5-ethyl-3,4-di(propan-2-yl)-2H-pyran-2-amine?
The InChIKey is MESPEYGVPQUJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-6-10-7-15-13(14)12(9(4)5)11(10)8(2)3/h7-9,13H,6,14H2,1-5H3.
What are the key properties of 5-ethyl-3,4-di(propan-2-yl)-2H-pyran-2-amine?
5-ethyl-3,4-di(propan-2-yl)-2H-pyran-2-amine has a molecular weight of 209.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,4-di(propan-2-yl)-2H-pyran-2-amine is sourced from PubChem (CID 151054046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).