ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium

C7H22N2O2+2 — CID 159411313

IUPACethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium
SMILESC=[N+](C)O.CC.C[N+](C)(C)O
InChIInChI=1S/C3H10NO.C2H6NO.C2H6/c1-4(2,3)5;1-3(2)4;1-2/h5H,1-3H3;4H,1H2,2H3;1-2H3/q2*+1;
InChIKeyOEIZKDCMTVCQES-UHFFFAOYSA-N
MW166.26 g/mol
LogP0.83
Rot. Bonds

About ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium

ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium (PubChem CID 159411313) has the molecular formula C7H22N2O2+2 and a molecular weight of 166.26 g/mol. Its IUPAC name is ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium.

Molecular Properties

Compound Nameethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium
PubChem CID159411313
Molecular FormulaC7H22N2O2+2
Molecular Weight166.26 g/mol
Exact Mass166.17
IUPAC Nameethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium
SMILESC=[N+](C)O.CC.C[N+](C)(C)O
InChIInChI=1S/C3H10NO.C2H6NO.C2H6/c1-4(2,3)5;1-3(2)4;1-2/h5H,1-3H3;4H,1H2,2H3;1-2H3/q2*+1;
InChIKeyOEIZKDCMTVCQES-UHFFFAOYSA-N
XLogP0.83
TPSA43.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dimethyl(methylidene)azanium;hydroiodide
CID 45051693
dimethyl(methylidene)azanium;methyl(methylidyne)azanium;tetramethylazanium
CID 158011582
ethane;methoxy-methyl-methylideneazanium
CID 158329110
methyl-methylidene-prop-1-en-2-ylazanium
CID 123573311
ethane;sulfane
CID 143330882
hydroxy-(3-methylbutan-2-yl)-methylideneazanium
CID 123918260
acetyl-methyl-methylideneazanium;N,N-dimethylacetamide;methane;1,1,3,3-tetramethylurea
CID 161136995
formaldehyde;tetramethylazanium
CID 57468222
ethane;tris(2-methylprop-1-ene)
CID 144520420
methanol;tetramethylazanium;chloride
CID 18968276
phosphinous acid;tris(tetramethylazanium)
CID 173308937
hydroxy-methyl-di(propan-2-yl)azanium
CID 138728861

Frequently Asked Questions

What is the IUPAC name of ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium?
The IUPAC name of ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium (CID 159411313) is ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium.
What is the SMILES notation for ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium?
The canonical SMILES for ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium is C=[N+](C)O.CC.C[N+](C)(C)O.
What is the InChIKey of ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium?
The InChIKey is OEIZKDCMTVCQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO.C2H6NO.C2H6/c1-4(2,3)5;1-3(2)4;1-2/h5H,1-3H3;4H,1H2,2H3;1-2H3/q2*+1;.
What are the key properties of ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium?
ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium has a molecular weight of 166.26 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hydroxy-methyl-methylideneazanium;hydroxy(trimethyl)azanium is sourced from PubChem (CID 159411313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).