N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine

C15H23N3O3 — CID 43770887

IUPACN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNC(c1ccco1)c1nccn1C
InChIInChI=1S/C15H23N3O3/c1-18-8-7-17-15(18)14(13-5-3-10-21-13)16-6-4-9-20-12-11-19-2/h3,5,7-8,10,14,16H,4,6,9,11-12H2,1-2H3
InChIKeyHJDNEPBKOMNVLV-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.75
Rot. Bonds10

About N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine

N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 43770887) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
PubChem CID43770887
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNC(c1ccco1)c1nccn1C
InChIInChI=1S/C15H23N3O3/c1-18-8-7-17-15(18)14(13-5-3-10-21-13)16-6-4-9-20-12-11-19-2/h3,5,7-8,10,14,16H,4,6,9,11-12H2,1-2H3
InChIKeyHJDNEPBKOMNVLV-UHFFFAOYSA-N
XLogP1.75
TPSA61.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine
CID 82942538
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104759298
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 43770586
6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol
CID 107849626
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020764
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 54931888
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 43754710
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106427266
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61284438
2-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]hexan-1-amine
CID 43767473
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine
CID 60913950
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 61044445

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine (CID 43770887) is N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine is COCCOCCCNC(c1ccco1)c1nccn1C.
What is the InChIKey of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is HJDNEPBKOMNVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-18-8-7-17-15(18)14(13-5-3-10-21-13)16-6-4-9-20-12-11-19-2/h3,5,7-8,10,14,16H,4,6,9,11-12H2,1-2H3.
What are the key properties of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 1.75, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 43770887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).