2,3-dimethylbutylidene(dimethyl)azanium

C8H18N+ — CID 123947542

IUPAC2,3-dimethylbutylidene(dimethyl)azanium
SMILESCC(C)C(C)C=[N+](C)C
InChIInChI=1S/C8H18N/c1-7(2)8(3)6-9(4)5/h6-8H,1-5H3/q+1
InChIKeyWDPJFERHWCFDHT-UHFFFAOYSA-N
MW128.24 g/mol
LogP1.62
Rot. Bonds2

About 2,3-dimethylbutylidene(dimethyl)azanium

2,3-dimethylbutylidene(dimethyl)azanium (PubChem CID 123947542) has the molecular formula C8H18N+ and a molecular weight of 128.24 g/mol. Its IUPAC name is 2,3-dimethylbutylidene(dimethyl)azanium.

Molecular Properties

Compound Name2,3-dimethylbutylidene(dimethyl)azanium
PubChem CID123947542
Molecular FormulaC8H18N+
Molecular Weight128.24 g/mol
Exact Mass128.14
IUPAC Name2,3-dimethylbutylidene(dimethyl)azanium
SMILESCC(C)C(C)C=[N+](C)C
InChIInChI=1S/C8H18N/c1-7(2)8(3)6-9(4)5/h6-8H,1-5H3/q+1
InChIKeyWDPJFERHWCFDHT-UHFFFAOYSA-N
XLogP1.62
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutylidene(dimethyl)azanium?
The IUPAC name of 2,3-dimethylbutylidene(dimethyl)azanium (CID 123947542) is 2,3-dimethylbutylidene(dimethyl)azanium.
What is the SMILES notation for 2,3-dimethylbutylidene(dimethyl)azanium?
The canonical SMILES for 2,3-dimethylbutylidene(dimethyl)azanium is CC(C)C(C)C=[N+](C)C.
What is the InChIKey of 2,3-dimethylbutylidene(dimethyl)azanium?
The InChIKey is WDPJFERHWCFDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N/c1-7(2)8(3)6-9(4)5/h6-8H,1-5H3/q+1.
What are the key properties of 2,3-dimethylbutylidene(dimethyl)azanium?
2,3-dimethylbutylidene(dimethyl)azanium has a molecular weight of 128.24 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutylidene(dimethyl)azanium is sourced from PubChem (CID 123947542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).