3-cyclopropyl-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine

C15H25NO — CID 104994734

IUPAC3-cyclopropyl-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
SMILESCCNC(CCC1CC1)c1c(C)oc(C)c1C
InChIInChI=1S/C15H25NO/c1-5-16-14(9-8-13-6-7-13)15-10(2)11(3)17-12(15)4/h13-14,16H,5-9H2,1-4H3
InChIKeyHNEMGJQTWURGNM-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.05
Rot. Bonds6

About 3-cyclopropyl-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine

3-cyclopropyl-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine (PubChem CID 104994734) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-cyclopropyl-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
PubChem CID104994734
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-cyclopropyl-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
SMILESCCNC(CCC1CC1)c1c(C)oc(C)c1C
InChIInChI=1S/C15H25NO/c1-5-16-14(9-8-13-6-7-13)15-10(2)11(3)17-12(15)4/h13-14,16H,5-9H2,1-4H3
InChIKeyHNEMGJQTWURGNM-UHFFFAOYSA-N
XLogP4.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-ethylsulfonyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
CID 115865157
N-[cyclopropyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
CID 104994062
3-cyclopropyl-N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine
CID 104805642
N-ethyl-4-phenyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
CID 115849308
N-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 103030288
3-cyclohexyl-N-ethyl-1-(5-ethylfuran-2-yl)propan-1-amine
CID 63505703
N-[cyclohexyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
CID 114980821
N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65152804
3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
CID 106883936
3-cyclopentyl-1-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 115796908
N-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 105049697
3-cyclopropyl-N-ethyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 104994836

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine (CID 104994734) is 3-cyclopropyl-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine is CCNC(CCC1CC1)c1c(C)oc(C)c1C.
What is the InChIKey of 3-cyclopropyl-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine?
The InChIKey is HNEMGJQTWURGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-16-14(9-8-13-6-7-13)15-10(2)11(3)17-12(15)4/h13-14,16H,5-9H2,1-4H3.
What are the key properties of 3-cyclopropyl-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine?
3-cyclopropyl-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine is sourced from PubChem (CID 104994734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).