N-[[5-[(2-ethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine

C14H21N3O — CID 55073284

IUPACN-[[5-[(2-ethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Cn2ccnc2CC)o1
InChIInChI=1S/C14H21N3O/c1-3-7-15-10-12-5-6-13(18-12)11-17-9-8-16-14(17)4-2/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3
InChIKeyVJUJLENADVQZBQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.59
Rot. Bonds7

About N-[[5-[(2-ethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine

N-[[5-[(2-ethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 55073284) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[5-[(2-ethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(2-ethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID55073284
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[[5-[(2-ethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Cn2ccnc2CC)o1
InChIInChI=1S/C14H21N3O/c1-3-7-15-10-12-5-6-13(18-12)11-17-9-8-16-14(17)4-2/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3
InChIKeyVJUJLENADVQZBQ-UHFFFAOYSA-N
XLogP2.59
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-[(2-ethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[5-(imidazol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62446636
N-[(5-ethylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 62346002
1-[[5-(propylaminomethyl)furan-2-yl]methyl]pyridin-2-one
CID 113372229
4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine
CID 62440432
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[[5-[(2-ethylimidazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62441582
4-[(2-ethylimidazol-1-yl)methyl]-N-propylpyridin-2-amine
CID 62465994
N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 62222165
N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]methyl]propan-1-amine
CID 66188581
N-[[1-[(2,6-dichlorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 55048807
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
CID 62221809
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-ethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(2-ethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine (CID 55073284) is N-[[5-[(2-ethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(2-ethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(2-ethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(Cn2ccnc2CC)o1.
What is the InChIKey of N-[[5-[(2-ethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is VJUJLENADVQZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-7-15-10-12-5-6-13(18-12)11-17-9-8-16-14(17)4-2/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3.
What are the key properties of N-[[5-[(2-ethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
N-[[5-[(2-ethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-ethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 55073284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).