2-ethyl-4-methyl-2H-pyran-5-amine

C8H13NO — CID 134420951

IUPAC2-ethyl-4-methyl-2H-pyran-5-amine
SMILESCCC1C=C(C)C(N)=CO1
InChIInChI=1S/C8H13NO/c1-3-7-4-6(2)8(9)5-10-7/h4-5,7H,3,9H2,1-2H3
InChIKeyAFHYRMPUSJWLGG-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.54
Rot. Bonds1

About 2-ethyl-4-methyl-2H-pyran-5-amine

2-ethyl-4-methyl-2H-pyran-5-amine (PubChem CID 134420951) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-ethyl-4-methyl-2H-pyran-5-amine.

Molecular Properties

Compound Name2-ethyl-4-methyl-2H-pyran-5-amine
PubChem CID134420951
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-ethyl-4-methyl-2H-pyran-5-amine
SMILESCCC1C=C(C)C(N)=CO1
InChIInChI=1S/C8H13NO/c1-3-7-4-6(2)8(9)5-10-7/h4-5,7H,3,9H2,1-2H3
InChIKeyAFHYRMPUSJWLGG-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-2H-pyran-5-amine?
The IUPAC name of 2-ethyl-4-methyl-2H-pyran-5-amine (CID 134420951) is 2-ethyl-4-methyl-2H-pyran-5-amine.
What is the SMILES notation for 2-ethyl-4-methyl-2H-pyran-5-amine?
The canonical SMILES for 2-ethyl-4-methyl-2H-pyran-5-amine is CCC1C=C(C)C(N)=CO1.
What is the InChIKey of 2-ethyl-4-methyl-2H-pyran-5-amine?
The InChIKey is AFHYRMPUSJWLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-7-4-6(2)8(9)5-10-7/h4-5,7H,3,9H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-2H-pyran-5-amine?
2-ethyl-4-methyl-2H-pyran-5-amine has a molecular weight of 139.20 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-2H-pyran-5-amine is sourced from PubChem (CID 134420951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).