1-[5-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]-N-methylmethanamine

C12H17N3O — CID 62442762

IUPAC1-[5-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]-N-methylmethanamine
SMILESCCc1nccn1Cc1cc(CNC)co1
InChIInChI=1S/C12H17N3O/c1-3-12-14-4-5-15(12)8-11-6-10(7-13-2)9-16-11/h4-6,9,13H,3,7-8H2,1-2H3
InChIKeyUVCXFKDUHIDYQG-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.81
Rot. Bonds5

About 1-[5-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]-N-methylmethanamine

1-[5-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]-N-methylmethanamine (PubChem CID 62442762) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[5-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]-N-methylmethanamine
PubChem CID62442762
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-[5-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]-N-methylmethanamine
SMILESCCc1nccn1Cc1cc(CNC)co1
InChIInChI=1S/C12H17N3O/c1-3-12-14-4-5-15(12)8-11-6-10(7-13-2)9-16-11/h4-6,9,13H,3,7-8H2,1-2H3
InChIKeyUVCXFKDUHIDYQG-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethylimidazol-1-yl)methyl]-N-methylpyridin-2-amine
CID 62465996
1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738227
N-[[5-[(2-ethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55073284
4-[(2-ethylimidazol-1-yl)methyl]pyridine
CID 63810514
1-[3-[(2-ethylimidazol-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine
CID 62442757
1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738325
1-[5-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62412564
N-[[5-[(2-ethylimidazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62441385
1-[5-[(3-ethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62432874
N-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62222849
N-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62442763
1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine
CID 42656322

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]-N-methylmethanamine (CID 62442762) is 1-[5-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]-N-methylmethanamine is CCc1nccn1Cc1cc(CNC)co1.
What is the InChIKey of 1-[5-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]-N-methylmethanamine?
The InChIKey is UVCXFKDUHIDYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-12-14-4-5-15(12)8-11-6-10(7-13-2)9-16-11/h4-6,9,13H,3,7-8H2,1-2H3.
What are the key properties of 1-[5-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]-N-methylmethanamine?
1-[5-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]-N-methylmethanamine has a molecular weight of 219.29 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62442762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).