1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine

C13H21NO2 — CID 104993129

IUPAC1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
SMILESCc1ccc(C(N)CCCC2CCCO2)o1
InChIInChI=1S/C13H21NO2/c1-10-7-8-13(16-10)12(14)6-2-4-11-5-3-9-15-11/h7-8,11-12H,2-6,9,14H2,1H3
InChIKeyPUYCRULMSLIWEP-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.94
Rot. Bonds5

About 1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine

1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine (PubChem CID 104993129) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
PubChem CID104993129
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
SMILESCc1ccc(C(N)CCCC2CCCO2)o1
InChIInChI=1S/C13H21NO2/c1-10-7-8-13(16-10)12(14)6-2-4-11-5-3-9-15-11/h7-8,11-12H,2-6,9,14H2,1H3
InChIKeyPUYCRULMSLIWEP-UHFFFAOYSA-N
XLogP2.94
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromofuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993311
1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993263
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993395
1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 113329530
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-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164754
1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156495
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167177
4-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)butan-1-amine
CID 65164140
3-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 65155041

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine (CID 104993129) is 1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine is Cc1ccc(C(N)CCCC2CCCO2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is PUYCRULMSLIWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-7-8-13(16-10)12(14)6-2-4-11-5-3-9-15-11/h7-8,11-12H,2-6,9,14H2,1H3.
What are the key properties of 1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine?
1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 104993129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).