1-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]-3-methylbutan-1-amine

C16H25N3O — CID 114705224

IUPAC1-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]-3-methylbutan-1-amine
SMILESCc1cc(C(C)n2cncc2C(N)CC(C)C)c(C)o1
InChIInChI=1S/C16H25N3O/c1-10(2)6-15(17)16-8-18-9-19(16)12(4)14-7-11(3)20-13(14)5/h7-10,12,15H,6,17H2,1-5H3
InChIKeyRFWLVVSMZLBWQF-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.75
Rot. Bonds5

About 1-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]-3-methylbutan-1-amine

1-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 114705224) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID114705224
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]-3-methylbutan-1-amine
SMILESCc1cc(C(C)n2cncc2C(N)CC(C)C)c(C)o1
InChIInChI=1S/C16H25N3O/c1-10(2)6-15(17)16-8-18-9-19(16)12(4)14-7-11(3)20-13(14)5/h7-10,12,15H,6,17H2,1-5H3
InChIKeyRFWLVVSMZLBWQF-UHFFFAOYSA-N
XLogP3.75
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]methanamine
CID 114705228
3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine
CID 114703737
3-methyl-1-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]butan-1-amine
CID 114705738
3-methyl-1-[3-(4-methylsulfanylbutan-2-yl)imidazol-4-yl]butan-1-amine
CID 114707577
1-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114707825
(1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine
CID 104942416
3-methyl-1-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]butan-1-amine
CID 114705044
3-methyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]butan-1-amine
CID 114704584
3-methyl-1-[3-(1-methylcyclobutyl)imidazol-4-yl]butan-1-amine
CID 114707394
2-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N,N-diethylpropanamide
CID 114707141
3-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]piperidine
CID 114705230
(1R)-1-[3-[1-(5-methylfuran-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 104942505

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]-3-methylbutan-1-amine (CID 114705224) is 1-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]-3-methylbutan-1-amine is Cc1cc(C(C)n2cncc2C(N)CC(C)C)c(C)o1.
What is the InChIKey of 1-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is RFWLVVSMZLBWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-10(2)6-15(17)16-8-18-9-19(16)12(4)14-7-11(3)20-13(14)5/h7-10,12,15H,6,17H2,1-5H3.
What are the key properties of 1-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]-3-methylbutan-1-amine?
1-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 114705224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).