5-[(4-cyanobutylamino)methyl]furan-2-carbonitrile

C11H13N3O — CID 115653264

IUPAC5-[(4-cyanobutylamino)methyl]furan-2-carbonitrile
SMILESN#CCCCCNCc1ccc(C#N)o1
InChIInChI=1S/C11H13N3O/c12-6-2-1-3-7-14-9-11-5-4-10(8-13)15-11/h4-5,14H,1-3,7,9H2
InChIKeyWWQABMGZUXXERK-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.93
Rot. Bonds6

About 5-[(4-cyanobutylamino)methyl]furan-2-carbonitrile

5-[(4-cyanobutylamino)methyl]furan-2-carbonitrile (PubChem CID 115653264) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 5-[(4-cyanobutylamino)methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[(4-cyanobutylamino)methyl]furan-2-carbonitrile
PubChem CID115653264
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name5-[(4-cyanobutylamino)methyl]furan-2-carbonitrile
SMILESN#CCCCCNCc1ccc(C#N)o1
InChIInChI=1S/C11H13N3O/c12-6-2-1-3-7-14-9-11-5-4-10(8-13)15-11/h4-5,14H,1-3,7,9H2
InChIKeyWWQABMGZUXXERK-UHFFFAOYSA-N
XLogP1.93
TPSA72.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(4-cyanobutylamino)methyl]furan-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-hydroxypropylamino)methyl]furan-2-carbonitrile
CID 115651259
5-[[3-(2-methylpropoxy)propylamino]methyl]furan-2-carbonitrile
CID 115651717
5-[(2-methoxyethylamino)methyl]furan-2-carbonitrile
CID 115651300
5-[[(3-hydroxy-4-methylpentyl)amino]methyl]furan-2-carbonitrile
CID 115654714
5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile
CID 115653596
5-[[2-[ethyl(methyl)amino]ethylamino]methyl]furan-2-carbonitrile
CID 115652842
5-[(benzylamino)methyl]furan-2-carbonitrile
CID 115651342
5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]furan-2-carbonitrile
CID 115651802
5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115656602
5-[[(2-chlorophenyl)methylamino]methyl]furan-2-carbonitrile
CID 113242812
5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile
CID 115653697
5-[[5-(2-nitrophenyl)furan-2-yl]methylamino]pentanenitrile
CID 119115331

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyanobutylamino)methyl]furan-2-carbonitrile?
The IUPAC name of 5-[(4-cyanobutylamino)methyl]furan-2-carbonitrile (CID 115653264) is 5-[(4-cyanobutylamino)methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[(4-cyanobutylamino)methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[(4-cyanobutylamino)methyl]furan-2-carbonitrile is N#CCCCCNCc1ccc(C#N)o1.
What is the InChIKey of 5-[(4-cyanobutylamino)methyl]furan-2-carbonitrile?
The InChIKey is WWQABMGZUXXERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-6-2-1-3-7-14-9-11-5-4-10(8-13)15-11/h4-5,14H,1-3,7,9H2.
What are the key properties of 5-[(4-cyanobutylamino)methyl]furan-2-carbonitrile?
5-[(4-cyanobutylamino)methyl]furan-2-carbonitrile has a molecular weight of 203.25 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyanobutylamino)methyl]furan-2-carbonitrile is sourced from PubChem (CID 115653264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).