5-[[3-(2-methylpropoxy)propylamino]methyl]furan-2-carbonitrile

C13H20N2O2 — CID 115651717

IUPAC5-[[3-(2-methylpropoxy)propylamino]methyl]furan-2-carbonitrile
SMILESCC(C)COCCCNCc1ccc(C#N)o1
InChIInChI=1S/C13H20N2O2/c1-11(2)10-16-7-3-6-15-9-13-5-4-12(8-14)17-13/h4-5,11,15H,3,6-7,9-10H2,1-2H3
InChIKeyLZNDDGRYWNNTBU-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.30
Rot. Bonds8

About 5-[[3-(2-methylpropoxy)propylamino]methyl]furan-2-carbonitrile

5-[[3-(2-methylpropoxy)propylamino]methyl]furan-2-carbonitrile (PubChem CID 115651717) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-[[3-(2-methylpropoxy)propylamino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[3-(2-methylpropoxy)propylamino]methyl]furan-2-carbonitrile
PubChem CID115651717
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5-[[3-(2-methylpropoxy)propylamino]methyl]furan-2-carbonitrile
SMILESCC(C)COCCCNCc1ccc(C#N)o1
InChIInChI=1S/C13H20N2O2/c1-11(2)10-16-7-3-6-15-9-13-5-4-12(8-14)17-13/h4-5,11,15H,3,6-7,9-10H2,1-2H3
InChIKeyLZNDDGRYWNNTBU-UHFFFAOYSA-N
XLogP2.30
TPSA58.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.30
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-[(4-cyanobutylamino)methyl]furan-2-carbonitrile
CID 115653264
5-[(2-methoxyethylamino)methyl]furan-2-carbonitrile
CID 115651300
5-[(3-hydroxypropylamino)methyl]furan-2-carbonitrile
CID 115651259
5-[[(3-hydroxy-4-methylpentyl)amino]methyl]furan-2-carbonitrile
CID 115654714
5-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]furan-2-carbonitrile
CID 115654952
2-[2-[(5-cyanofuran-2-yl)methylamino]ethoxy]acetamide
CID 106235935
5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]furan-2-carbonitrile
CID 115651802
5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile
CID 115653596
5-[[2-[ethyl(methyl)amino]ethylamino]methyl]furan-2-carbonitrile
CID 115652842
5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile
CID 119138452
2-[(5-cyanofuran-2-yl)methylamino]-N-(2-methylpropyl)acetamide
CID 113243167
5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115651606

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-methylpropoxy)propylamino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[3-(2-methylpropoxy)propylamino]methyl]furan-2-carbonitrile (CID 115651717) is 5-[[3-(2-methylpropoxy)propylamino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[3-(2-methylpropoxy)propylamino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[3-(2-methylpropoxy)propylamino]methyl]furan-2-carbonitrile is CC(C)COCCCNCc1ccc(C#N)o1.
What is the InChIKey of 5-[[3-(2-methylpropoxy)propylamino]methyl]furan-2-carbonitrile?
The InChIKey is LZNDDGRYWNNTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11(2)10-16-7-3-6-15-9-13-5-4-12(8-14)17-13/h4-5,11,15H,3,6-7,9-10H2,1-2H3.
What are the key properties of 5-[[3-(2-methylpropoxy)propylamino]methyl]furan-2-carbonitrile?
5-[[3-(2-methylpropoxy)propylamino]methyl]furan-2-carbonitrile has a molecular weight of 236.31 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-methylpropoxy)propylamino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115651717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).