N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylimidazol-2-yl)ethanamine

C12H17N3O — CID 105011259

IUPACN-methyl-1-(5-methylfuran-3-yl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCNC(Cc1nccn1C)c1coc(C)c1
InChIInChI=1S/C12H17N3O/c1-9-6-10(8-16-9)11(13-2)7-12-14-4-5-15(12)3/h4-6,8,11,13H,7H2,1-3H3
InChIKeyRBTSVNXCMJDQIG-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.82
Rot. Bonds4

About N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylimidazol-2-yl)ethanamine

N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 105011259) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylfuran-3-yl)-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID105011259
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-methyl-1-(5-methylfuran-3-yl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCNC(Cc1nccn1C)c1coc(C)c1
InChIInChI=1S/C12H17N3O/c1-9-6-10(8-16-9)11(13-2)7-12-14-4-5-15(12)3/h4-6,8,11,13H,7H2,1-3H3
InChIKeyRBTSVNXCMJDQIG-UHFFFAOYSA-N
XLogP1.82
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 105009117
1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011597
1-(4-bromo-3-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011510
1-(5-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105049859
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011486
N-methyl-1-(5-methylfuran-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104999895
2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 105007716
1-cyclopropyl-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 63352794
[1-(3,6-dimethylpyridazin-4-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105323024
[1-(2,5-dimethylphenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322911
N-methyl-2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105011558
N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 63198283

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylimidazol-2-yl)ethanamine (CID 105011259) is N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylimidazol-2-yl)ethanamine is CNC(Cc1nccn1C)c1coc(C)c1.
What is the InChIKey of N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is RBTSVNXCMJDQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-6-10(8-16-9)11(13-2)7-12-14-4-5-15(12)3/h4-6,8,11,13H,7H2,1-3H3.
What are the key properties of N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylimidazol-2-yl)ethanamine?
N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 219.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105011259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).