azane;N,N-dimethylmethanamine;2-methyloxirane;dihydrochloride

C6H20Cl2N2O — CID 174502718

IUPACazane;N,N-dimethylmethanamine;2-methyloxirane;dihydrochloride
SMILESCC1CO1.CN(C)C.Cl.Cl.N
InChIInChI=1S/C3H9N.C3H6O.2ClH.H3N/c1-4(2)3;1-3-2-4-3;;;/h1-3H3;3H,2H2,1H3;2*1H;1H3
InChIKeyQJPVNPZFMGLXNT-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.59
Rot. Bonds

About azane;N,N-dimethylmethanamine;2-methyloxirane;dihydrochloride

azane;N,N-dimethylmethanamine;2-methyloxirane;dihydrochloride (PubChem CID 174502718) has the molecular formula C6H20Cl2N2O and a molecular weight of 207.15 g/mol. Its IUPAC name is azane;N,N-dimethylmethanamine;2-methyloxirane;dihydrochloride.

Molecular Properties

Compound Nameazane;N,N-dimethylmethanamine;2-methyloxirane;dihydrochloride
PubChem CID174502718
Molecular FormulaC6H20Cl2N2O
Molecular Weight207.15 g/mol
Exact Mass206.10
IUPAC Nameazane;N,N-dimethylmethanamine;2-methyloxirane;dihydrochloride
SMILESCC1CO1.CN(C)C.Cl.Cl.N
InChIInChI=1S/C3H9N.C3H6O.2ClH.H3N/c1-4(2)3;1-3-2-4-3;;;/h1-3H3;3H,2H2,1H3;2*1H;1H3
InChIKeyQJPVNPZFMGLXNT-UHFFFAOYSA-N
XLogP1.59
TPSA50.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;N,N-dimethylmethanamine;2-methyloxirane;dihydrochloride?
The IUPAC name of azane;N,N-dimethylmethanamine;2-methyloxirane;dihydrochloride (CID 174502718) is azane;N,N-dimethylmethanamine;2-methyloxirane;dihydrochloride.
What is the SMILES notation for azane;N,N-dimethylmethanamine;2-methyloxirane;dihydrochloride?
The canonical SMILES for azane;N,N-dimethylmethanamine;2-methyloxirane;dihydrochloride is CC1CO1.CN(C)C.Cl.Cl.N.
What is the InChIKey of azane;N,N-dimethylmethanamine;2-methyloxirane;dihydrochloride?
The InChIKey is QJPVNPZFMGLXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C3H6O.2ClH.H3N/c1-4(2)3;1-3-2-4-3;;;/h1-3H3;3H,2H2,1H3;2*1H;1H3.
What are the key properties of azane;N,N-dimethylmethanamine;2-methyloxirane;dihydrochloride?
azane;N,N-dimethylmethanamine;2-methyloxirane;dihydrochloride has a molecular weight of 207.15 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N,N-dimethylmethanamine;2-methyloxirane;dihydrochloride is sourced from PubChem (CID 174502718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).