N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(oxolan-3-yl)propan-1-amine

C15H25NO2 — CID 113260741

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(oxolan-3-yl)propan-1-amine
SMILESCCC(NC(C)c1cc(C)oc1C)C1CCOC1
InChIInChI=1S/C15H25NO2/c1-5-15(13-6-7-17-9-13)16-11(3)14-8-10(2)18-12(14)4/h8,11,13,15-16H,5-7,9H2,1-4H3
InChIKeyMEJXXEMWZCPREL-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.36
Rot. Bonds5

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(oxolan-3-yl)propan-1-amine

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(oxolan-3-yl)propan-1-amine (PubChem CID 113260741) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(oxolan-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(oxolan-3-yl)propan-1-amine
PubChem CID113260741
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(oxolan-3-yl)propan-1-amine
SMILESCCC(NC(C)c1cc(C)oc1C)C1CCOC1
InChIInChI=1S/C15H25NO2/c1-5-15(13-6-7-17-9-13)16-11(3)14-8-10(2)18-12(14)4/h8,11,13,15-16H,5-7,9H2,1-4H3
InChIKeyMEJXXEMWZCPREL-UHFFFAOYSA-N
XLogP3.36
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60919899
(2,5-dimethylfuran-3-yl)-(oxan-4-yl)methanol
CID 115797622
2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine
CID 103389665
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115724005
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43121203
N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115704048
2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol
CID 65312937
1-N,1-N,3-trimethyl-2-N-[1-(oxolan-3-yl)propyl]butane-1,2-diamine
CID 113260390
1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine
CID 115846874
1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanol
CID 115789569
N-[1-(oxolan-3-yl)propyl]aniline
CID 115729358
4-methyl-N-[1-(oxolan-3-yl)propyl]pyridin-3-amine
CID 115922202

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(oxolan-3-yl)propan-1-amine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(oxolan-3-yl)propan-1-amine (CID 113260741) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(oxolan-3-yl)propan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(oxolan-3-yl)propan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(oxolan-3-yl)propan-1-amine is CCC(NC(C)c1cc(C)oc1C)C1CCOC1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(oxolan-3-yl)propan-1-amine?
The InChIKey is MEJXXEMWZCPREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-15(13-6-7-17-9-13)16-11(3)14-8-10(2)18-12(14)4/h8,11,13,15-16H,5-7,9H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(oxolan-3-yl)propan-1-amine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(oxolan-3-yl)propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(oxolan-3-yl)propan-1-amine is sourced from PubChem (CID 113260741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).