2,2-dimethylpentylidene(dimethyl)azanium

C9H20N+ — CID 535786

IUPAC2,2-dimethylpentylidene(dimethyl)azanium
SMILESCCCC(C)(C)C=[N+](C)C
InChIInChI=1S/C9H20N/c1-6-7-9(2,3)8-10(4)5/h8H,6-7H2,1-5H3/q+1
InChIKeyRGMODXOVIUIGAB-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.16
Rot. Bonds3

About 2,2-dimethylpentylidene(dimethyl)azanium

2,2-dimethylpentylidene(dimethyl)azanium (PubChem CID 535786) has the molecular formula C9H20N+ and a molecular weight of 142.27 g/mol. Its IUPAC name is 2,2-dimethylpentylidene(dimethyl)azanium.

Molecular Properties

Compound Name2,2-dimethylpentylidene(dimethyl)azanium
PubChem CID535786
Molecular FormulaC9H20N+
Molecular Weight142.27 g/mol
Exact Mass142.16
IUPAC Name2,2-dimethylpentylidene(dimethyl)azanium
SMILESCCCC(C)(C)C=[N+](C)C
InChIInChI=1S/C9H20N/c1-6-7-9(2,3)8-10(4)5/h8H,6-7H2,1-5H3/q+1
InChIKeyRGMODXOVIUIGAB-UHFFFAOYSA-N
XLogP2.16
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.16
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'}

Analyze 2,2-dimethylpentylidene(dimethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpentylidene(dimethyl)azanium?
The IUPAC name of 2,2-dimethylpentylidene(dimethyl)azanium (CID 535786) is 2,2-dimethylpentylidene(dimethyl)azanium.
What is the SMILES notation for 2,2-dimethylpentylidene(dimethyl)azanium?
The canonical SMILES for 2,2-dimethylpentylidene(dimethyl)azanium is CCCC(C)(C)C=[N+](C)C.
What is the InChIKey of 2,2-dimethylpentylidene(dimethyl)azanium?
The InChIKey is RGMODXOVIUIGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N/c1-6-7-9(2,3)8-10(4)5/h8H,6-7H2,1-5H3/q+1.
What are the key properties of 2,2-dimethylpentylidene(dimethyl)azanium?
2,2-dimethylpentylidene(dimethyl)azanium has a molecular weight of 142.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpentylidene(dimethyl)azanium is sourced from PubChem (CID 535786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).