2-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanenitrile

C11H16N2O — CID 115129501

IUPAC2-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanenitrile
SMILESCc1ccc(CN(C)C(C)(C)C#N)o1
InChIInChI=1S/C11H16N2O/c1-9-5-6-10(14-9)7-13(4)11(2,3)8-12/h5-6H,7H2,1-4H3
InChIKeyWFSVCQNHCKAUSN-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.32
Rot. Bonds3

About 2-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanenitrile

2-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanenitrile (PubChem CID 115129501) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanenitrile
PubChem CID115129501
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanenitrile
SMILESCc1ccc(CN(C)C(C)(C)C#N)o1
InChIInChI=1S/C11H16N2O/c1-9-5-6-10(14-9)7-13(4)11(2,3)8-12/h5-6H,7H2,1-4H3
InChIKeyWFSVCQNHCKAUSN-UHFFFAOYSA-N
XLogP2.32
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanenitrile?
The IUPAC name of 2-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanenitrile (CID 115129501) is 2-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanenitrile.
What is the SMILES notation for 2-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanenitrile?
The canonical SMILES for 2-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanenitrile is Cc1ccc(CN(C)C(C)(C)C#N)o1.
What is the InChIKey of 2-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanenitrile?
The InChIKey is WFSVCQNHCKAUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-5-6-10(14-9)7-13(4)11(2,3)8-12/h5-6H,7H2,1-4H3.
What are the key properties of 2-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanenitrile?
2-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanenitrile has a molecular weight of 192.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanenitrile is sourced from PubChem (CID 115129501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).