ethyl-dimethyl-(2-methyloxiran-2-yl)azanium chloride

C7H16ClNO — CID 141409665

IUPACethyl-dimethyl-(2-methyloxiran-2-yl)azanium chloride
SMILESCC[N+](C)(C)C1(C)CO1.[Cl-]
InChIInChI=1S/C7H16NO.ClH/c1-5-8(3,4)7(2)6-9-7;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyQWHMGYVYWHYHQU-UHFFFAOYSA-M
MW165.66 g/mol
LogP-2.17
Rot. Bonds2

About ethyl-dimethyl-(2-methyloxiran-2-yl)azanium chloride

ethyl-dimethyl-(2-methyloxiran-2-yl)azanium chloride (PubChem CID 141409665) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is ethyl-dimethyl-(2-methyloxiran-2-yl)azanium chloride.

Molecular Properties

Compound Nameethyl-dimethyl-(2-methyloxiran-2-yl)azanium chloride
PubChem CID141409665
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Nameethyl-dimethyl-(2-methyloxiran-2-yl)azanium chloride
SMILESCC[N+](C)(C)C1(C)CO1.[Cl-]
InChIInChI=1S/C7H16NO.ClH/c1-5-8(3,4)7(2)6-9-7;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyQWHMGYVYWHYHQU-UHFFFAOYSA-M
XLogP-2.17
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 5-2.17
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 ethyl-dimethyl-(2-methyloxiran-2-yl)azanium chloride?
The IUPAC name of ethyl-dimethyl-(2-methyloxiran-2-yl)azanium chloride (CID 141409665) is ethyl-dimethyl-(2-methyloxiran-2-yl)azanium chloride.
What is the SMILES notation for ethyl-dimethyl-(2-methyloxiran-2-yl)azanium chloride?
The canonical SMILES for ethyl-dimethyl-(2-methyloxiran-2-yl)azanium chloride is CC[N+](C)(C)C1(C)CO1.[Cl-].
What is the InChIKey of ethyl-dimethyl-(2-methyloxiran-2-yl)azanium chloride?
The InChIKey is QWHMGYVYWHYHQU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16NO.ClH/c1-5-8(3,4)7(2)6-9-7;/h5-6H2,1-4H3;1H/q+1;/p-1.
What are the key properties of ethyl-dimethyl-(2-methyloxiran-2-yl)azanium chloride?
ethyl-dimethyl-(2-methyloxiran-2-yl)azanium chloride has a molecular weight of 165.66 g/mol, XLogP of -2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(2-methyloxiran-2-yl)azanium chloride is sourced from PubChem (CID 141409665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).