5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile

C10H14N2O2 — CID 115653697

IUPAC5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile
SMILESCC(C)(O)CNCc1ccc(C#N)o1
InChIInChI=1S/C10H14N2O2/c1-10(2,13)7-12-6-9-4-3-8(5-11)14-9/h3-4,12-13H,6-7H2,1-2H3
InChIKeyDYGNQZWFRYTVTC-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.01
Rot. Bonds4

About 5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile

5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile (PubChem CID 115653697) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile
PubChem CID115653697
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile
SMILESCC(C)(O)CNCc1ccc(C#N)o1
InChIInChI=1S/C10H14N2O2/c1-10(2,13)7-12-6-9-4-3-8(5-11)14-9/h3-4,12-13H,6-7H2,1-2H3
InChIKeyDYGNQZWFRYTVTC-UHFFFAOYSA-N
XLogP1.01
TPSA69.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methylfurtrethonium
CID 4141
2-Furanmethanaminium, N,N,N,5-tetramethyl-, iodide (1:1)
CID 70973
Propanedinitrile, (((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)amino)ethyl)amino)(methylamino)methylene)-
CID 3077644
Propanedinitrile, ((methylamino)((2-(((5-(1-pyrrolidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)methylene)-
CID 3077649
N-Methylfurfurylamine
CID 78492
1-[(5-Methyl-2-furanyl)methyl]pyrrolidine
CID 529066
Propanedinitrile, (((2-(((5-((bis(1-methylethyl)amino)methyl)-2-furanyl)methyl)amino)ethyl)amino)(methylamino)methylene)-
CID 3077648
2-cyano-N-((furan-2-yl)methyl)acetamide
CID 304848
N-[(5-methyl-2-furyl)methyl]ethanamine
CID 4777647
Bis((furan-2-yl)methyl)amine
CID 557214
(E)-2-cyano-N-(furan-2-ylmethyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 778438
[1-[2-[(5-Dimethylaminomethyl-2-furanyl)methylamino]ethyl]-2-imidazolidinylidene]propanedinitrile
CID 3077654

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile (CID 115653697) is 5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile is CC(C)(O)CNCc1ccc(C#N)o1.
What is the InChIKey of 5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile?
The InChIKey is DYGNQZWFRYTVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-10(2,13)7-12-6-9-4-3-8(5-11)14-9/h3-4,12-13H,6-7H2,1-2H3.
What are the key properties of 5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile?
5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile has a molecular weight of 194.23 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115653697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).