1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine

C15H25NO2 — CID 65156495

IUPAC1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1ccc(C)o1
InChIInChI=1S/C15H25NO2/c1-3-10-16-14(15-9-6-12(2)18-15)8-7-13-5-4-11-17-13/h6,9,13-14,16H,3-5,7-8,10-11H2,1-2H3
InChIKeyJEYHGIHPYKBUDN-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.59
Rot. Bonds7

About 1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine

1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (PubChem CID 65156495) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
PubChem CID65156495
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1ccc(C)o1
InChIInChI=1S/C15H25NO2/c1-3-10-16-14(15-9-6-12(2)18-15)8-7-13-5-4-11-17-13/h6,9,13-14,16H,3-5,7-8,10-11H2,1-2H3
InChIKeyJEYHGIHPYKBUDN-UHFFFAOYSA-N
XLogP3.59
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156343
1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156280
3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine
CID 65156384
N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156443
1-(3-bromo-4-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993778
3-(oxolan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 115855107
1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993486
3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 65166768
1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993774
1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 115861250
1-(3,6-dimethylpyridazin-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105156981
1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105018462

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (CID 65156495) is 1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is CCCNC(CCC1CCCO1)c1ccc(C)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The InChIKey is JEYHGIHPYKBUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-10-16-14(15-9-6-12(2)18-15)8-7-13-5-4-11-17-13/h6,9,13-14,16H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.59, 7 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)-3-(oxolan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 65156495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).