2-(furan-2-ylmethylamino)-2-methylpropanenitrile

C9H12N2O — CID 2113352

IUPAC2-(furan-2-ylmethylamino)-2-methylpropanenitrile
SMILESCC(C)(C#N)NCc1ccco1
InChIInChI=1S/C9H12N2O/c1-9(2,7-10)11-6-8-4-3-5-12-8/h3-5,11H,6H2,1-2H3
InChIKeyIRXMMSNGPVZGDR-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.67
Rot. Bonds3

About 2-(furan-2-ylmethylamino)-2-methylpropanenitrile

2-(furan-2-ylmethylamino)-2-methylpropanenitrile (PubChem CID 2113352) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-2-methylpropanenitrile
PubChem CID2113352
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-(furan-2-ylmethylamino)-2-methylpropanenitrile
SMILESCC(C)(C#N)NCc1ccco1
InChIInChI=1S/C9H12N2O/c1-9(2,7-10)11-6-8-4-3-5-12-8/h3-5,11H,6H2,1-2H3
InChIKeyIRXMMSNGPVZGDR-UHFFFAOYSA-N
XLogP1.67
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-2-methylpropanenitrile?
The IUPAC name of 2-(furan-2-ylmethylamino)-2-methylpropanenitrile (CID 2113352) is 2-(furan-2-ylmethylamino)-2-methylpropanenitrile.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-2-methylpropanenitrile?
The canonical SMILES for 2-(furan-2-ylmethylamino)-2-methylpropanenitrile is CC(C)(C#N)NCc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-2-methylpropanenitrile?
The InChIKey is IRXMMSNGPVZGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-9(2,7-10)11-6-8-4-3-5-12-8/h3-5,11H,6H2,1-2H3.
What are the key properties of 2-(furan-2-ylmethylamino)-2-methylpropanenitrile?
2-(furan-2-ylmethylamino)-2-methylpropanenitrile has a molecular weight of 164.21 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-2-methylpropanenitrile is sourced from PubChem (CID 2113352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).