ethyl-dimethyl-(oxiran-2-ylmethyl)azanium chloride

C7H16ClNO — CID 86204401

IUPACethyl-dimethyl-(oxiran-2-ylmethyl)azanium chloride
SMILESCC[N+](C)(C)CC1CO1.[Cl-]
InChIInChI=1S/C7H16NO.ClH/c1-4-8(2,3)5-7-6-9-7;/h7H,4-6H2,1-3H3;1H/q+1;/p-1
InChIKeyWQGFIYIFPAXLPK-UHFFFAOYSA-M
MW165.66 g/mol
LogP-2.51
Rot. Bonds3

About ethyl-dimethyl-(oxiran-2-ylmethyl)azanium chloride

ethyl-dimethyl-(oxiran-2-ylmethyl)azanium chloride (PubChem CID 86204401) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is ethyl-dimethyl-(oxiran-2-ylmethyl)azanium chloride.

Molecular Properties

Compound Nameethyl-dimethyl-(oxiran-2-ylmethyl)azanium chloride
PubChem CID86204401
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Nameethyl-dimethyl-(oxiran-2-ylmethyl)azanium chloride
SMILESCC[N+](C)(C)CC1CO1.[Cl-]
InChIInChI=1S/C7H16NO.ClH/c1-4-8(2,3)5-7-6-9-7;/h7H,4-6H2,1-3H3;1H/q+1;/p-1
InChIKeyWQGFIYIFPAXLPK-UHFFFAOYSA-M
XLogP-2.51
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 5-2.51
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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Related Compounds

Glycidyltrimethylammonium chloride
CID 18205
N,N-Diethyl-2-oxiranemethanamine
CID 95611
Glycidyl trimethylammonium
CID 18206
Oxiranemethanamine, N,N-dibutyl-
CID 12401886
Choline, beta-methyl-, methylether, hydrochloride
CID 115399
N,N-Dimethyl-1-oxiran-2-ylmethanamine
CID 10772937
Oxiranemethanaminium, N,N,N-tributyl-, chloride
CID 179586
N-(2,3-Epoxypropyl)-N-methylmorpholinium chloride
CID 3016452
Methyl[(oxiran-2-yl)methyl](propan-2-yl)amine
CID 16781615
methyl((((2S)-oxiran-2-yl)methyl))(propan-2-yl)amine
CID 40505261
Oxiranemethanamine, N-butyl-N-(oxiranylmethyl)-
CID 521237
(1,2-Epoxypropyl)triethylammonium chloride
CID 19738444

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-(oxiran-2-ylmethyl)azanium chloride?
The IUPAC name of ethyl-dimethyl-(oxiran-2-ylmethyl)azanium chloride (CID 86204401) is ethyl-dimethyl-(oxiran-2-ylmethyl)azanium chloride.
What is the SMILES notation for ethyl-dimethyl-(oxiran-2-ylmethyl)azanium chloride?
The canonical SMILES for ethyl-dimethyl-(oxiran-2-ylmethyl)azanium chloride is CC[N+](C)(C)CC1CO1.[Cl-].
What is the InChIKey of ethyl-dimethyl-(oxiran-2-ylmethyl)azanium chloride?
The InChIKey is WQGFIYIFPAXLPK-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16NO.ClH/c1-4-8(2,3)5-7-6-9-7;/h7H,4-6H2,1-3H3;1H/q+1;/p-1.
What are the key properties of ethyl-dimethyl-(oxiran-2-ylmethyl)azanium chloride?
ethyl-dimethyl-(oxiran-2-ylmethyl)azanium chloride has a molecular weight of 165.66 g/mol, XLogP of -2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(oxiran-2-ylmethyl)azanium chloride is sourced from PubChem (CID 86204401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).