trimethyl(2,4,4-trimethylpentan-2-yl)azanium

C11H26N+ — CID 19067539

IUPACtrimethyl(2,4,4-trimethylpentan-2-yl)azanium
SMILESCC(C)(C)CC(C)(C)[N+](C)(C)C
InChIInChI=1S/C11H26N/c1-10(2,3)9-11(4,5)12(6,7)8/h9H2,1-8H3/q+1
InChIKeyUJFAWPDCRDPWQB-UHFFFAOYSA-N
MW172.34 g/mol
LogP2.91
Rot. Bonds2

About trimethyl(2,4,4-trimethylpentan-2-yl)azanium

trimethyl(2,4,4-trimethylpentan-2-yl)azanium (PubChem CID 19067539) has the molecular formula C11H26N+ and a molecular weight of 172.34 g/mol. Its IUPAC name is trimethyl(2,4,4-trimethylpentan-2-yl)azanium.

Molecular Properties

Compound Nametrimethyl(2,4,4-trimethylpentan-2-yl)azanium
PubChem CID19067539
Molecular FormulaC11H26N+
Molecular Weight172.34 g/mol
Exact Mass172.21
IUPAC Nametrimethyl(2,4,4-trimethylpentan-2-yl)azanium
SMILESCC(C)(C)CC(C)(C)[N+](C)(C)C
InChIInChI=1S/C11H26N/c1-10(2,3)9-11(4,5)12(6,7)8/h9H2,1-8H3/q+1
InChIKeyUJFAWPDCRDPWQB-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl(2,4,4-trimethylpentan-2-yl)azanium?
The IUPAC name of trimethyl(2,4,4-trimethylpentan-2-yl)azanium (CID 19067539) is trimethyl(2,4,4-trimethylpentan-2-yl)azanium.
What is the SMILES notation for trimethyl(2,4,4-trimethylpentan-2-yl)azanium?
The canonical SMILES for trimethyl(2,4,4-trimethylpentan-2-yl)azanium is CC(C)(C)CC(C)(C)[N+](C)(C)C.
What is the InChIKey of trimethyl(2,4,4-trimethylpentan-2-yl)azanium?
The InChIKey is UJFAWPDCRDPWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N/c1-10(2,3)9-11(4,5)12(6,7)8/h9H2,1-8H3/q+1.
What are the key properties of trimethyl(2,4,4-trimethylpentan-2-yl)azanium?
trimethyl(2,4,4-trimethylpentan-2-yl)azanium has a molecular weight of 172.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2,4,4-trimethylpentan-2-yl)azanium is sourced from PubChem (CID 19067539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).