methanimidate;methylazanium

C2H8N2O — CID 158284762

IUPACmethanimidate;methylazanium
SMILESC[NH3+].[H]/N=C/[O-]
InChIInChI=1S/CH3NO.CH5N/c2-1-3;1-2/h1H,(H2,2,3);2H2,1H3
InChIKeyGKQIBHHDCVGBSA-UHFFFAOYSA-N
MW76.10 g/mol
LogP-2.19
Rot. Bonds

About methanimidate;methylazanium

methanimidate;methylazanium (PubChem CID 158284762) has the molecular formula C2H8N2O and a molecular weight of 76.10 g/mol. Its IUPAC name is methanimidate;methylazanium.

Molecular Properties

Compound Namemethanimidate;methylazanium
PubChem CID158284762
Molecular FormulaC2H8N2O
Molecular Weight76.10 g/mol
Exact Mass76.06
IUPAC Namemethanimidate;methylazanium
SMILESC[NH3+].[H]/N=C/[O-]
InChIInChI=1S/CH3NO.CH5N/c2-1-3;1-2/h1H,(H2,2,3);2H2,1H3
InChIKeyGKQIBHHDCVGBSA-UHFFFAOYSA-N
XLogP-2.19
TPSA74.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.10
LogP ≤ 5-2.19
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

propan-2-yl methanimidothioate
CID 89365201
methanimidoyl methanimidothioate;propane
CID 142059269
N,N-di(propan-2-yl)methanimidamide
CID 19782034
1-iminopropan-2-ol;hydrochloride
CID 158886323
azane;ethanimine;platinum(2+);dichloride
CID 15950730
N-methanimidoyl-N-methyl-N'-propan-2-ylmethanimidamide
CID 144511470
3-trimethylsilylprop-2-yn-1-imine
CID 15691014
4-methylheptane-1,7-diimine
CID 139852006
ethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine
CID 178156046
diazene;ruthenium
CID 175399496
[(Z)-2,5-dimethylhex-3-en-2-yl] methanimidothioate
CID 142338282
2-ethoxypropane-1,3-diimine
CID 123387663

Frequently Asked Questions

What is the IUPAC name of methanimidate;methylazanium?
The IUPAC name of methanimidate;methylazanium (CID 158284762) is methanimidate;methylazanium.
What is the SMILES notation for methanimidate;methylazanium?
The canonical SMILES for methanimidate;methylazanium is C[NH3+].[H]/N=C/[O-].
What is the InChIKey of methanimidate;methylazanium?
The InChIKey is GKQIBHHDCVGBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO.CH5N/c2-1-3;1-2/h1H,(H2,2,3);2H2,1H3.
What are the key properties of methanimidate;methylazanium?
methanimidate;methylazanium has a molecular weight of 76.10 g/mol, XLogP of -2.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanimidate;methylazanium is sourced from PubChem (CID 158284762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).