N-[(2,5-dimethylfuran-3-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine

C13H20N4O — CID 114213546

IUPACN-[(2,5-dimethylfuran-3-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)oc1C)c1cnnn1CC
InChIInChI=1S/C13H20N4O/c1-5-14-13(11-7-9(3)18-10(11)4)12-8-15-16-17(12)6-2/h7-8,13-14H,5-6H2,1-4H3
InChIKeyBFFJPIRMVYMFFW-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.21
Rot. Bonds5

About N-[(2,5-dimethylfuran-3-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine

N-[(2,5-dimethylfuran-3-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine (PubChem CID 114213546) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine
PubChem CID114213546
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[(2,5-dimethylfuran-3-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)oc1C)c1cnnn1CC
InChIInChI=1S/C13H20N4O/c1-5-14-13(11-7-9(3)18-10(11)4)12-8-15-16-17(12)6-2/h7-8,13-14H,5-6H2,1-4H3
InChIKeyBFFJPIRMVYMFFW-UHFFFAOYSA-N
XLogP2.21
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 105040716
N-[(4,5-dimethylthiophen-2-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine
CID 114213501
N-[(3-ethyltriazol-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 114213447
[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]hydrazine
CID 105336355
N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105182281
N-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820182
N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102842041
N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105048857
N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81477159
N-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 102653722
N-[(2-bromo-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 107982004
N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-2,5-dimethylphenyl)methyl]ethanamine
CID 105032873

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine (CID 114213546) is N-[(2,5-dimethylfuran-3-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine is CCNC(c1cc(C)oc1C)c1cnnn1CC.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine?
The InChIKey is BFFJPIRMVYMFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-5-14-13(11-7-9(3)18-10(11)4)12-8-15-16-17(12)6-2/h7-8,13-14H,5-6H2,1-4H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine?
N-[(2,5-dimethylfuran-3-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine has a molecular weight of 248.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 114213546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).