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

C11H27NO — CID 19067543

IUPACtrimethyl(2,4,4-trimethylpentan-2-yl)azanium hydroxide
SMILESCC(C)(C)CC(C)(C)[N+](C)(C)C.[OH-]
InChIInChI=1S/C11H26N.H2O/c1-10(2,3)9-11(4,5)12(6,7)8;/h9H2,1-8H3;1H2/q+1;/p-1
InChIKeyMHEGQXBHZGZQDX-UHFFFAOYSA-M
MW189.34 g/mol
LogP2.73
Rot. Bonds2

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

trimethyl(2,4,4-trimethylpentan-2-yl)azanium hydroxide (PubChem CID 19067543) has the molecular formula C11H27NO and a molecular weight of 189.34 g/mol. Its IUPAC name is trimethyl(2,4,4-trimethylpentan-2-yl)azanium hydroxide.

Molecular Properties

Compound Nametrimethyl(2,4,4-trimethylpentan-2-yl)azanium hydroxide
PubChem CID19067543
Molecular FormulaC11H27NO
Molecular Weight189.34 g/mol
Exact Mass189.21
IUPAC Nametrimethyl(2,4,4-trimethylpentan-2-yl)azanium hydroxide
SMILESCC(C)(C)CC(C)(C)[N+](C)(C)C.[OH-]
InChIInChI=1S/C11H26N.H2O/c1-10(2,3)9-11(4,5)12(6,7)8;/h9H2,1-8H3;1H2/q+1;/p-1
InChIKeyMHEGQXBHZGZQDX-UHFFFAOYSA-M
XLogP2.73
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 hydroxide?
The IUPAC name of trimethyl(2,4,4-trimethylpentan-2-yl)azanium hydroxide (CID 19067543) is trimethyl(2,4,4-trimethylpentan-2-yl)azanium hydroxide.
What is the SMILES notation for trimethyl(2,4,4-trimethylpentan-2-yl)azanium hydroxide?
The canonical SMILES for trimethyl(2,4,4-trimethylpentan-2-yl)azanium hydroxide is CC(C)(C)CC(C)(C)[N+](C)(C)C.[OH-].
What is the InChIKey of trimethyl(2,4,4-trimethylpentan-2-yl)azanium hydroxide?
The InChIKey is MHEGQXBHZGZQDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H26N.H2O/c1-10(2,3)9-11(4,5)12(6,7)8;/h9H2,1-8H3;1H2/q+1;/p-1.
What are the key properties of trimethyl(2,4,4-trimethylpentan-2-yl)azanium hydroxide?
trimethyl(2,4,4-trimethylpentan-2-yl)azanium hydroxide has a molecular weight of 189.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2,4,4-trimethylpentan-2-yl)azanium hydroxide is sourced from PubChem (CID 19067543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).