N-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine

C12H17N3O — CID 61214870

IUPACN-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
SMILESCc1ccc(CNCCc2nccn2C)o1
InChIInChI=1S/C12H17N3O/c1-10-3-4-11(16-10)9-13-6-5-12-14-7-8-15(12)2/h3-4,7-8,13H,5-6,9H2,1-2H3
InChIKeyFOGWCWUKMOGBNE-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.65
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine

N-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 61214870) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID61214870
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
SMILESCc1ccc(CNCCc2nccn2C)o1
InChIInChI=1S/C12H17N3O/c1-10-3-4-11(16-10)9-13-6-5-12-14-7-8-15(12)2/h3-4,7-8,13H,5-6,9H2,1-2H3
InChIKeyFOGWCWUKMOGBNE-UHFFFAOYSA-N
XLogP1.65
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-ethylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 62346002
3-methyl-5-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 103247021
N-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104627021
2-(1-methylimidazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437741
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 115762274
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61211468
2-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 61214878
2-(1-methylimidazol-2-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine
CID 114527694
1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one
CID 62940791
2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 61214868
2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66411574

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine (CID 61214870) is N-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine is Cc1ccc(CNCCc2nccn2C)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is FOGWCWUKMOGBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-10-3-4-11(16-10)9-13-6-5-12-14-7-8-15(12)2/h3-4,7-8,13H,5-6,9H2,1-2H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
N-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 219.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 61214870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).