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

C12H17N3O — CID 114705228

IUPAC[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]methanamine
SMILESCc1cc(C(C)n2cncc2CN)c(C)o1
InChIInChI=1S/C12H17N3O/c1-8-4-12(10(3)16-8)9(2)15-7-14-6-11(15)5-13/h4,6-7,9H,5,13H2,1-3H3
InChIKeyQTPSUZFOHKEYIR-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.16
Rot. Bonds3

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

[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]methanamine (PubChem CID 114705228) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is [3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]methanamine
PubChem CID114705228
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]methanamine
SMILESCc1cc(C(C)n2cncc2CN)c(C)o1
InChIInChI=1S/C12H17N3O/c1-8-4-12(10(3)16-8)9(2)15-7-14-6-11(15)5-13/h4,6-7,9H,5,13H2,1-3H3
InChIKeyQTPSUZFOHKEYIR-UHFFFAOYSA-N
XLogP2.16
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 114705224
[3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanamine
CID 66149048
3-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]piperidine
CID 114705230
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 66140201
2-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrazol-3-amine
CID 43121456
[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methanamine
CID 66149963
[3-[1-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine
CID 66148189
1-(2,5-dimethylfuran-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 113429021
(3-benzhydrylimidazol-4-yl)methanamine
CID 66146726
2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine
CID 103389665
[3-(1-phenylpropyl)imidazol-4-yl]methanamine
CID 66151583
6-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79297189

Frequently Asked Questions

What is the IUPAC name of [3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]methanamine?
The IUPAC name of [3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]methanamine (CID 114705228) is [3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]methanamine?
The canonical SMILES for [3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]methanamine is Cc1cc(C(C)n2cncc2CN)c(C)o1.
What is the InChIKey of [3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]methanamine?
The InChIKey is QTPSUZFOHKEYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-4-12(10(3)16-8)9(2)15-7-14-6-11(15)5-13/h4,6-7,9H,5,13H2,1-3H3.
What are the key properties of [3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]methanamine?
[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]methanamine has a molecular weight of 219.29 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 114705228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).