trimethyl(oxiran-2-ylmethyl)azanium chloride

C6H14ClNO — CID 18205

IUPACtrimethyl(oxiran-2-ylmethyl)azanium chloride
SMILESC[N+](C)(C)CC1CO1.[Cl-]
InChIInChI=1S/C6H14NO.ClH/c1-7(2,3)4-6-5-8-6;/h6H,4-5H2,1-3H3;1H/q+1;/p-1
InChIKeyPUVAFTRIIUSGLK-UHFFFAOYSA-M
MW151.64 g/mol
LogP-2.90
Rot. Bonds2

About trimethyl(oxiran-2-ylmethyl)azanium chloride

trimethyl(oxiran-2-ylmethyl)azanium chloride (PubChem CID 18205) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is trimethyl(oxiran-2-ylmethyl)azanium chloride.

Molecular Properties

Compound Nametrimethyl(oxiran-2-ylmethyl)azanium chloride
PubChem CID18205
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Nametrimethyl(oxiran-2-ylmethyl)azanium chloride
SMILESC[N+](C)(C)CC1CO1.[Cl-]
InChIInChI=1S/C6H14NO.ClH/c1-7(2,3)4-6-5-8-6;/h6H,4-5H2,1-3H3;1H/q+1;/p-1
InChIKeyPUVAFTRIIUSGLK-UHFFFAOYSA-M
XLogP-2.90
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 5-2.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl(oxiran-2-ylmethyl)azanium chloride?
The IUPAC name of trimethyl(oxiran-2-ylmethyl)azanium chloride (CID 18205) is trimethyl(oxiran-2-ylmethyl)azanium chloride.
What is the SMILES notation for trimethyl(oxiran-2-ylmethyl)azanium chloride?
The canonical SMILES for trimethyl(oxiran-2-ylmethyl)azanium chloride is C[N+](C)(C)CC1CO1.[Cl-].
What is the InChIKey of trimethyl(oxiran-2-ylmethyl)azanium chloride?
The InChIKey is PUVAFTRIIUSGLK-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14NO.ClH/c1-7(2,3)4-6-5-8-6;/h6H,4-5H2,1-3H3;1H/q+1;/p-1.
What are the key properties of trimethyl(oxiran-2-ylmethyl)azanium chloride?
trimethyl(oxiran-2-ylmethyl)azanium chloride has a molecular weight of 151.64 g/mol, XLogP of -2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(oxiran-2-ylmethyl)azanium chloride is sourced from PubChem (CID 18205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).