4-(2,5-dimethylfuran-3-yl)pent-3-en-1-amine

C11H17NO — CID 76997431

IUPAC4-(2,5-dimethylfuran-3-yl)pent-3-en-1-amine
SMILESCC(=CCCN)c1cc(C)oc1C
InChIInChI=1S/C11H17NO/c1-8(5-4-6-12)11-7-9(2)13-10(11)3/h5,7H,4,6,12H2,1-3H3
InChIKeyUBHUTFIHYBAWEU-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.65
Rot. Bonds3

About 4-(2,5-dimethylfuran-3-yl)pent-3-en-1-amine

4-(2,5-dimethylfuran-3-yl)pent-3-en-1-amine (PubChem CID 76997431) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(2,5-dimethylfuran-3-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name4-(2,5-dimethylfuran-3-yl)pent-3-en-1-amine
PubChem CID76997431
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-(2,5-dimethylfuran-3-yl)pent-3-en-1-amine
SMILESCC(=CCCN)c1cc(C)oc1C
InChIInChI=1S/C11H17NO/c1-8(5-4-6-12)11-7-9(2)13-10(11)3/h5,7H,4,6,12H2,1-3H3
InChIKeyUBHUTFIHYBAWEU-UHFFFAOYSA-N
XLogP2.65
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylfuran-3-yl)pent-3-en-1-amine?
The IUPAC name of 4-(2,5-dimethylfuran-3-yl)pent-3-en-1-amine (CID 76997431) is 4-(2,5-dimethylfuran-3-yl)pent-3-en-1-amine.
What is the SMILES notation for 4-(2,5-dimethylfuran-3-yl)pent-3-en-1-amine?
The canonical SMILES for 4-(2,5-dimethylfuran-3-yl)pent-3-en-1-amine is CC(=CCCN)c1cc(C)oc1C.
What is the InChIKey of 4-(2,5-dimethylfuran-3-yl)pent-3-en-1-amine?
The InChIKey is UBHUTFIHYBAWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(5-4-6-12)11-7-9(2)13-10(11)3/h5,7H,4,6,12H2,1-3H3.
What are the key properties of 4-(2,5-dimethylfuran-3-yl)pent-3-en-1-amine?
4-(2,5-dimethylfuran-3-yl)pent-3-en-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylfuran-3-yl)pent-3-en-1-amine is sourced from PubChem (CID 76997431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).