1-(5-ethylfuran-2-yl)-2-methylbutan-1-amine

C11H19NO — CID 62346381

IUPAC1-(5-ethylfuran-2-yl)-2-methylbutan-1-amine
SMILESCCc1ccc(C(N)C(C)CC)o1
InChIInChI=1S/C11H19NO/c1-4-8(3)11(12)10-7-6-9(5-2)13-10/h6-8,11H,4-5,12H2,1-3H3
InChIKeyNVIXDXDANZKLHW-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.89
Rot. Bonds4

About 1-(5-ethylfuran-2-yl)-2-methylbutan-1-amine

1-(5-ethylfuran-2-yl)-2-methylbutan-1-amine (PubChem CID 62346381) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-2-methylbutan-1-amine
PubChem CID62346381
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(5-ethylfuran-2-yl)-2-methylbutan-1-amine
SMILESCCc1ccc(C(N)C(C)CC)o1
InChIInChI=1S/C11H19NO/c1-4-8(3)11(12)10-7-6-9(5-2)13-10/h6-8,11H,4-5,12H2,1-3H3
InChIKeyNVIXDXDANZKLHW-UHFFFAOYSA-N
XLogP2.89
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-2-methylbutan-1-amine?
The IUPAC name of 1-(5-ethylfuran-2-yl)-2-methylbutan-1-amine (CID 62346381) is 1-(5-ethylfuran-2-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-2-methylbutan-1-amine is CCc1ccc(C(N)C(C)CC)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-2-methylbutan-1-amine?
The InChIKey is NVIXDXDANZKLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-8(3)11(12)10-7-6-9(5-2)13-10/h6-8,11H,4-5,12H2,1-3H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-2-methylbutan-1-amine?
1-(5-ethylfuran-2-yl)-2-methylbutan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 62346381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).