2-methyl-N-propan-2-ylpropanenitrilium

C7H14N+ — CID 13260890

IUPAC2-methyl-N-propan-2-ylpropanenitrilium
SMILESCC(C)C#[N+]C(C)C
InChIInChI=1S/C7H14N/c1-6(2)5-8-7(3)4/h6-7H,1-4H3/q+1
InChIKeyAXENVUOBRDDMPU-UHFFFAOYSA-N
MW112.20 g/mol
LogP2.38
Rot. Bonds

About 2-methyl-N-propan-2-ylpropanenitrilium

2-methyl-N-propan-2-ylpropanenitrilium (PubChem CID 13260890) has the molecular formula C7H14N+ and a molecular weight of 112.20 g/mol. Its IUPAC name is 2-methyl-N-propan-2-ylpropanenitrilium.

Molecular Properties

Compound Name2-methyl-N-propan-2-ylpropanenitrilium
PubChem CID13260890
Molecular FormulaC7H14N+
Molecular Weight112.20 g/mol
Exact Mass112.11
IUPAC Name2-methyl-N-propan-2-ylpropanenitrilium
SMILESCC(C)C#[N+]C(C)C
InChIInChI=1S/C7H14N/c1-6(2)5-8-7(3)4/h6-7H,1-4H3/q+1
InChIKeyAXENVUOBRDDMPU-UHFFFAOYSA-N
XLogP2.38
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-ylpropanenitrilium?
The IUPAC name of 2-methyl-N-propan-2-ylpropanenitrilium (CID 13260890) is 2-methyl-N-propan-2-ylpropanenitrilium.
What is the SMILES notation for 2-methyl-N-propan-2-ylpropanenitrilium?
The canonical SMILES for 2-methyl-N-propan-2-ylpropanenitrilium is CC(C)C#[N+]C(C)C.
What is the InChIKey of 2-methyl-N-propan-2-ylpropanenitrilium?
The InChIKey is AXENVUOBRDDMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N/c1-6(2)5-8-7(3)4/h6-7H,1-4H3/q+1.
What are the key properties of 2-methyl-N-propan-2-ylpropanenitrilium?
2-methyl-N-propan-2-ylpropanenitrilium has a molecular weight of 112.20 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-ylpropanenitrilium is sourced from PubChem (CID 13260890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).