N-[(2,5-dimethylfuran-3-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine

C17H29NO2 — CID 65156694

IUPACN-[(2,5-dimethylfuran-3-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)oc1C)C1C(C)OC(C)C1C
InChIInChI=1S/C17H29NO2/c1-7-8-18-17(15-9-10(2)19-13(15)5)16-11(3)12(4)20-14(16)6/h9,11-12,14,16-18H,7-8H2,1-6H3
InChIKeyYHDXMZFMXYTKNJ-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.00
Rot. Bonds5

About N-[(2,5-dimethylfuran-3-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine

N-[(2,5-dimethylfuran-3-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 65156694) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
PubChem CID65156694
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[(2,5-dimethylfuran-3-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)oc1C)C1C(C)OC(C)C1C
InChIInChI=1S/C17H29NO2/c1-7-8-18-17(15-9-10(2)19-13(15)5)16-11(3)12(4)20-14(16)6/h9,11-12,14,16-18H,7-8H2,1-6H3
InChIKeyYHDXMZFMXYTKNJ-UHFFFAOYSA-N
XLogP4.00
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 115851998
N-[(2,3-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 115850487
N-[(3,5-dimethylcyclohexyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 104988757
N-[(4-fluoro-3-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 79721558
N-[(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 65156334
N-[2-bicyclo[2.2.1]heptanyl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 63503991
N-[pyrazin-2-yl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 115860548
N-[(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 80536036
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 105009683
N-[(2,5-dimethylfuran-3-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496090
N-[(4-fluoro-2,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 106878417
N-[(5-bromo-2-chlorophenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 63503979

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine (CID 65156694) is N-[(2,5-dimethylfuran-3-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine is CCCNC(c1cc(C)oc1C)C1C(C)OC(C)C1C.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is YHDXMZFMXYTKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-7-8-18-17(15-9-10(2)19-13(15)5)16-11(3)12(4)20-14(16)6/h9,11-12,14,16-18H,7-8H2,1-6H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
N-[(2,5-dimethylfuran-3-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 65156694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).