2-(furan-2-yl)-2-(3-methylbutylamino)acetonitrile

C11H16N2O — CID 55263890

IUPAC2-(furan-2-yl)-2-(3-methylbutylamino)acetonitrile
SMILESCC(C)CCNC(C#N)c1ccco1
InChIInChI=1S/C11H16N2O/c1-9(2)5-6-13-10(8-12)11-4-3-7-14-11/h3-4,7,9-10,13H,5-6H2,1-2H3
InChIKeySRGBZXVNPILUEE-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.48
Rot. Bonds5

About 2-(furan-2-yl)-2-(3-methylbutylamino)acetonitrile

2-(furan-2-yl)-2-(3-methylbutylamino)acetonitrile (PubChem CID 55263890) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-(3-methylbutylamino)acetonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-2-(3-methylbutylamino)acetonitrile
PubChem CID55263890
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(furan-2-yl)-2-(3-methylbutylamino)acetonitrile
SMILESCC(C)CCNC(C#N)c1ccco1
InChIInChI=1S/C11H16N2O/c1-9(2)5-6-13-10(8-12)11-4-3-7-14-11/h3-4,7,9-10,13H,5-6H2,1-2H3
InChIKeySRGBZXVNPILUEE-UHFFFAOYSA-N
XLogP2.48
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-3-(furan-2-yl)-N-(3-methylbutyl)propanamide
CID 112515481
2-(furan-2-yl)-2-(iodoamino)acetonitrile
CID 146552435
2-(3-methylbutylamino)-2-thiophen-3-ylacetonitrile
CID 84817819
2-(3-methoxyphenyl)-2-(3-methylbutylamino)acetonitrile
CID 112500762
4-[[(1S)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81401126
(2R)-2-(benzhydrylamino)-2-(furan-2-yl)acetonitrile
CID 11818553
5-[1-(furan-2-yl)ethylamino]pentanenitrile
CID 60698105
2-(furan-2-yl)pentanenitrile
CID 165359033
1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 61483869
N-[cyano(furan-2-yl)methyl]-2,2-dimethylpropanamide
CID 13075793
3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81400905
3,3,3-trifluoro-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]propanenitrile
CID 103367449

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-(3-methylbutylamino)acetonitrile?
The IUPAC name of 2-(furan-2-yl)-2-(3-methylbutylamino)acetonitrile (CID 55263890) is 2-(furan-2-yl)-2-(3-methylbutylamino)acetonitrile.
What is the SMILES notation for 2-(furan-2-yl)-2-(3-methylbutylamino)acetonitrile?
The canonical SMILES for 2-(furan-2-yl)-2-(3-methylbutylamino)acetonitrile is CC(C)CCNC(C#N)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-2-(3-methylbutylamino)acetonitrile?
The InChIKey is SRGBZXVNPILUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9(2)5-6-13-10(8-12)11-4-3-7-14-11/h3-4,7,9-10,13H,5-6H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-2-(3-methylbutylamino)acetonitrile?
2-(furan-2-yl)-2-(3-methylbutylamino)acetonitrile has a molecular weight of 192.26 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-(3-methylbutylamino)acetonitrile is sourced from PubChem (CID 55263890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).