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

C16H25N3O — CID 105049697

IUPACN-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
SMILESCCNC(CCc1nccn1C)c1c(C)oc(C)c1C
InChIInChI=1S/C16H25N3O/c1-6-17-14(7-8-15-18-9-10-19(15)5)16-11(2)12(3)20-13(16)4/h9-10,14,17H,6-8H2,1-5H3
InChIKeyLVAGLEPIXTUPFI-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.22
Rot. Bonds6

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

N-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine (PubChem CID 105049697) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
PubChem CID105049697
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
SMILESCCNC(CCc1nccn1C)c1c(C)oc(C)c1C
InChIInChI=1S/C16H25N3O/c1-6-17-14(7-8-15-18-9-10-19(15)5)16-11(2)12(3)20-13(16)4/h9-10,14,17H,6-8H2,1-5H3
InChIKeyLVAGLEPIXTUPFI-UHFFFAOYSA-N
XLogP3.22
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 105009083
N-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 103030288
1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 103407554
1-(2-bromo-3-methylphenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 107985466
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105187699
N-ethyl-1-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530517
1-(3-chloro-2-pyridinyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 103444443
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 102812906
N-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529913
N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 114530055
N-ethyl-2-(1-methylimidazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105167045
N-ethyl-5-(1-methylimidazol-2-yl)pentan-2-amine
CID 79761819

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine (CID 105049697) is N-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine is CCNC(CCc1nccn1C)c1c(C)oc(C)c1C.
What is the InChIKey of N-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine?
The InChIKey is LVAGLEPIXTUPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-6-17-14(7-8-15-18-9-10-19(15)5)16-11(2)12(3)20-13(16)4/h9-10,14,17H,6-8H2,1-5H3.
What are the key properties of N-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine?
N-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine is sourced from PubChem (CID 105049697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).