5-[[2-[ethyl(methyl)amino]ethylamino]methyl]furan-2-carbonitrile

C11H17N3O — CID 115652842

IUPAC5-[[2-[ethyl(methyl)amino]ethylamino]methyl]furan-2-carbonitrile
SMILESCCN(C)CCNCc1ccc(C#N)o1
InChIInChI=1S/C11H17N3O/c1-3-14(2)7-6-13-9-11-5-4-10(8-12)15-11/h4-5,13H,3,6-7,9H2,1-2H3
InChIKeyJUNIFIGFTSLAEG-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.19
Rot. Bonds6

About 5-[[2-[ethyl(methyl)amino]ethylamino]methyl]furan-2-carbonitrile

5-[[2-[ethyl(methyl)amino]ethylamino]methyl]furan-2-carbonitrile (PubChem CID 115652842) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-[[2-[ethyl(methyl)amino]ethylamino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[2-[ethyl(methyl)amino]ethylamino]methyl]furan-2-carbonitrile
PubChem CID115652842
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-[[2-[ethyl(methyl)amino]ethylamino]methyl]furan-2-carbonitrile
SMILESCCN(C)CCNCc1ccc(C#N)o1
InChIInChI=1S/C11H17N3O/c1-3-14(2)7-6-13-9-11-5-4-10(8-12)15-11/h4-5,13H,3,6-7,9H2,1-2H3
InChIKeyJUNIFIGFTSLAEG-UHFFFAOYSA-N
XLogP1.19
TPSA52.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-methoxyethylamino)methyl]furan-2-carbonitrile
CID 115651300
5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]furan-2-carbonitrile
CID 115651802
5-[(3-hydroxypropylamino)methyl]furan-2-carbonitrile
CID 115651259
5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile
CID 115653596
5-[(4-cyanobutylamino)methyl]furan-2-carbonitrile
CID 115653264
5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile
CID 103699447
5-[(2,2-dimethylbutylamino)methyl]furan-2-carbonitrile
CID 103460965
5-[[(3-hydroxy-4-methylpentyl)amino]methyl]furan-2-carbonitrile
CID 115654714
5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile
CID 115653697
5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 115651465
5-[(benzylamino)methyl]furan-2-carbonitrile
CID 115651342
5-[[3-(2-methylpropoxy)propylamino]methyl]furan-2-carbonitrile
CID 115651717

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[ethyl(methyl)amino]ethylamino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[2-[ethyl(methyl)amino]ethylamino]methyl]furan-2-carbonitrile (CID 115652842) is 5-[[2-[ethyl(methyl)amino]ethylamino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[2-[ethyl(methyl)amino]ethylamino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[2-[ethyl(methyl)amino]ethylamino]methyl]furan-2-carbonitrile is CCN(C)CCNCc1ccc(C#N)o1.
What is the InChIKey of 5-[[2-[ethyl(methyl)amino]ethylamino]methyl]furan-2-carbonitrile?
The InChIKey is JUNIFIGFTSLAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-14(2)7-6-13-9-11-5-4-10(8-12)15-11/h4-5,13H,3,6-7,9H2,1-2H3.
What are the key properties of 5-[[2-[ethyl(methyl)amino]ethylamino]methyl]furan-2-carbonitrile?
5-[[2-[ethyl(methyl)amino]ethylamino]methyl]furan-2-carbonitrile has a molecular weight of 207.28 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[ethyl(methyl)amino]ethylamino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115652842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).