acetic acid;N,N'-dimethylethanimidamide

C6H14N2O2 — CID 162316953

IUPACacetic acid;N,N'-dimethylethanimidamide
SMILESC/N=C(\C)NC.CC(=O)O
InChIInChI=1S/C4H10N2.C2H4O2/c1-4(5-2)6-3;1-2(3)4/h1-3H3,(H,5,6);1H3,(H,3,4)
InChIKeyCDRPOTLLMUQVKB-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.34
Rot. Bonds

About acetic acid;N,N'-dimethylethanimidamide

acetic acid;N,N'-dimethylethanimidamide (PubChem CID 162316953) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is acetic acid;N,N'-dimethylethanimidamide.

Molecular Properties

Compound Nameacetic acid;N,N'-dimethylethanimidamide
PubChem CID162316953
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Nameacetic acid;N,N'-dimethylethanimidamide
SMILESC/N=C(\C)NC.CC(=O)O
InChIInChI=1S/C4H10N2.C2H4O2/c1-4(5-2)6-3;1-2(3)4/h1-3H3,(H,5,6);1H3,(H,3,4)
InChIKeyCDRPOTLLMUQVKB-UHFFFAOYSA-N
XLogP0.34
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethylethanimidamide;ethane
CID 176553571
tetrakis(2-(methylamino)-2-methyliminoacetic acid);zirconium;trihydrochloride
CID 173302758
acetic acid;tin(2+);dichloride
CID 163897744
acetic acid;indigane;λ2-stannane
CID 174961068
acetic acid;azane;zirconium
CID 173280365
acetic acid
CID 158444727
acetic acid;manganese;zirconium;tetrahydrate
CID 173164754
acetic acid;palladium
CID 58759193
acetic acid;cerium
CID 5102530
acetic acid;ethane
CID 173226324
acetic acid;nickel(2+)
CID 22169473
acetic acid;cobalt
CID 59294242

Frequently Asked Questions

What is the IUPAC name of acetic acid;N,N'-dimethylethanimidamide?
The IUPAC name of acetic acid;N,N'-dimethylethanimidamide (CID 162316953) is acetic acid;N,N'-dimethylethanimidamide.
What is the SMILES notation for acetic acid;N,N'-dimethylethanimidamide?
The canonical SMILES for acetic acid;N,N'-dimethylethanimidamide is C/N=C(\C)NC.CC(=O)O.
What is the InChIKey of acetic acid;N,N'-dimethylethanimidamide?
The InChIKey is CDRPOTLLMUQVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C2H4O2/c1-4(5-2)6-3;1-2(3)4/h1-3H3,(H,5,6);1H3,(H,3,4).
What are the key properties of acetic acid;N,N'-dimethylethanimidamide?
acetic acid;N,N'-dimethylethanimidamide has a molecular weight of 146.19 g/mol, XLogP of 0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N,N'-dimethylethanimidamide is sourced from PubChem (CID 162316953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).