amino-[chloro(oxiran-2-yl)methyl]-dimethylazanium

C5H12ClN2O+ — CID 87096210

IUPACamino-[chloro(oxiran-2-yl)methyl]-dimethylazanium
SMILESC[N+](C)(N)C(Cl)C1CO1
InChIInChI=1S/C5H12ClN2O/c1-8(2,7)5(6)4-3-9-4/h4-5H,3,7H2,1-2H3/q+1
InChIKeyOVACXHAXYFJCJL-UHFFFAOYSA-N
MW151.62 g/mol
LogP-0.10
Rot. Bonds2

About amino-[chloro(oxiran-2-yl)methyl]-dimethylazanium

amino-[chloro(oxiran-2-yl)methyl]-dimethylazanium (PubChem CID 87096210) has the molecular formula C5H12ClN2O+ and a molecular weight of 151.62 g/mol. Its IUPAC name is amino-[chloro(oxiran-2-yl)methyl]-dimethylazanium.

Molecular Properties

Compound Nameamino-[chloro(oxiran-2-yl)methyl]-dimethylazanium
PubChem CID87096210
Molecular FormulaC5H12ClN2O+
Molecular Weight151.62 g/mol
Exact Mass151.06
IUPAC Nameamino-[chloro(oxiran-2-yl)methyl]-dimethylazanium
SMILESC[N+](C)(N)C(Cl)C1CO1
InChIInChI=1S/C5H12ClN2O/c1-8(2,7)5(6)4-3-9-4/h4-5H,3,7H2,1-2H3/q+1
InChIKeyOVACXHAXYFJCJL-UHFFFAOYSA-N
XLogP-0.10
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.62
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-[chloro(oxiran-2-yl)methyl]-dimethylazanium?
The IUPAC name of amino-[chloro(oxiran-2-yl)methyl]-dimethylazanium (CID 87096210) is amino-[chloro(oxiran-2-yl)methyl]-dimethylazanium.
What is the SMILES notation for amino-[chloro(oxiran-2-yl)methyl]-dimethylazanium?
The canonical SMILES for amino-[chloro(oxiran-2-yl)methyl]-dimethylazanium is C[N+](C)(N)C(Cl)C1CO1.
What is the InChIKey of amino-[chloro(oxiran-2-yl)methyl]-dimethylazanium?
The InChIKey is OVACXHAXYFJCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClN2O/c1-8(2,7)5(6)4-3-9-4/h4-5H,3,7H2,1-2H3/q+1.
What are the key properties of amino-[chloro(oxiran-2-yl)methyl]-dimethylazanium?
amino-[chloro(oxiran-2-yl)methyl]-dimethylazanium has a molecular weight of 151.62 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[chloro(oxiran-2-yl)methyl]-dimethylazanium is sourced from PubChem (CID 87096210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).