5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile

C12H18N2O — CID 115653596

IUPAC5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile
SMILESCCC(CC)CNCc1ccc(C#N)o1
InChIInChI=1S/C12H18N2O/c1-3-10(4-2)8-14-9-12-6-5-11(7-13)15-12/h5-6,10,14H,3-4,8-9H2,1-2H3
InChIKeyVFBGNEFVLUYNNZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.68
Rot. Bonds6

About 5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile

5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile (PubChem CID 115653596) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile
PubChem CID115653596
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile
SMILESCCC(CC)CNCc1ccc(C#N)o1
InChIInChI=1S/C12H18N2O/c1-3-10(4-2)8-14-9-12-6-5-11(7-13)15-12/h5-6,10,14H,3-4,8-9H2,1-2H3
InChIKeyVFBGNEFVLUYNNZ-UHFFFAOYSA-N
XLogP2.68
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(2-hydroxyethyl)pentylamino]methyl]furan-2-carbonitrile
CID 103707954
5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115656602
5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 115651465
5-[(2,2-dimethylbutylamino)methyl]furan-2-carbonitrile
CID 103460965
5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile
CID 115651266
2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine
CID 115584728
5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carbonitrile
CID 115652335
5-[(2-methoxyethylamino)methyl]furan-2-carbonitrile
CID 115651300
5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile
CID 115653697
5-[(4-cyanobutylamino)methyl]furan-2-carbonitrile
CID 115653264
5-[[2-[ethyl(methyl)amino]ethylamino]methyl]furan-2-carbonitrile
CID 115652842
5-[(benzylamino)methyl]furan-2-carbonitrile
CID 115651342

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile?
The IUPAC name of 5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile (CID 115653596) is 5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile is CCC(CC)CNCc1ccc(C#N)o1.
What is the InChIKey of 5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile?
The InChIKey is VFBGNEFVLUYNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-10(4-2)8-14-9-12-6-5-11(7-13)15-12/h5-6,10,14H,3-4,8-9H2,1-2H3.
What are the key properties of 5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile?
5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile has a molecular weight of 206.29 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile is sourced from PubChem (CID 115653596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).