1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine

C14H23NO2 — CID 104993263

IUPAC1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine
SMILESCc1cc(C(N)CCCC2CCCO2)c(C)o1
InChIInChI=1S/C14H23NO2/c1-10-9-13(11(2)17-10)14(15)7-3-5-12-6-4-8-16-12/h9,12,14H,3-8,15H2,1-2H3
InChIKeyLGNLVLYLSDAANU-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.25
Rot. Bonds5

About 1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine

1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine (PubChem CID 104993263) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine
PubChem CID104993263
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine
SMILESCc1cc(C(N)CCCC2CCCO2)c(C)o1
InChIInChI=1S/C14H23NO2/c1-10-9-13(11(2)17-10)14(15)7-3-5-12-6-4-8-16-12/h9,12,14H,3-8,15H2,1-2H3
InChIKeyLGNLVLYLSDAANU-UHFFFAOYSA-N
XLogP3.25
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993129
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993443
1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993086
1-(3-ethyl-6-methylpyridazin-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 105156648
1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164754
3-(oxan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990469
1-(5-bromofuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993311
1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104789721
1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993670
1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993395
4-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)butan-1-amine
CID 65164140

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine (CID 104993263) is 1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine is Cc1cc(C(N)CCCC2CCCO2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is LGNLVLYLSDAANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10-9-13(11(2)17-10)14(15)7-3-5-12-6-4-8-16-12/h9,12,14H,3-8,15H2,1-2H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine?
1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 104993263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).