ethanimidoyl(trimethyl)azanium

C5H13N2+ — CID 163584281

IUPACethanimidoyl(trimethyl)azanium
SMILES[H]/N=C(\C)[N+](C)(C)C
InChIInChI=1S/C5H13N2/c1-5(6)7(2,3)4/h6H,1-4H3/q+1/b6-5+
InChIKeyPAVCFYZRSJAZAM-AATRIKPKSA-N
MW101.17 g/mol
LogP0.69
Rot. Bonds

About ethanimidoyl(trimethyl)azanium

ethanimidoyl(trimethyl)azanium (PubChem CID 163584281) has the molecular formula C5H13N2+ and a molecular weight of 101.17 g/mol. Its IUPAC name is ethanimidoyl(trimethyl)azanium.

Molecular Properties

Compound Nameethanimidoyl(trimethyl)azanium
PubChem CID163584281
Molecular FormulaC5H13N2+
Molecular Weight101.17 g/mol
Exact Mass101.11
IUPAC Nameethanimidoyl(trimethyl)azanium
SMILES[H]/N=C(\C)[N+](C)(C)C
InChIInChI=1S/C5H13N2/c1-5(6)7(2,3)4/h6H,1-4H3/q+1/b6-5+
InChIKeyPAVCFYZRSJAZAM-AATRIKPKSA-N
XLogP0.69
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

methyl ethanimidothioate
CID 11063866
cobalt;ethanimidamide
CID 162055614
ethanimidate;methane
CID 162090399
copper ethanimidate
CID 159106233
carbamimidoyl (1Z)-ethanehydrazonate
CID 67943615
ethanimidamide;guanidine
CID 160661984
azanide;cobalt(2+);ethanimidate
CID 50921860
magnesium;ethanimidoyl fluoride;hydride
CID 174794498
ethanimidamide;hydrate;hydrochloride
CID 160733537
cyclopentane;ethanimidamide
CID 158057030
3-methylbutan-2-imine
CID 20811318
ethanimidamide;propan-2-one;titanium
CID 158445220

Frequently Asked Questions

What is the IUPAC name of ethanimidoyl(trimethyl)azanium?
The IUPAC name of ethanimidoyl(trimethyl)azanium (CID 163584281) is ethanimidoyl(trimethyl)azanium.
What is the SMILES notation for ethanimidoyl(trimethyl)azanium?
The canonical SMILES for ethanimidoyl(trimethyl)azanium is [H]/N=C(\C)[N+](C)(C)C.
What is the InChIKey of ethanimidoyl(trimethyl)azanium?
The InChIKey is PAVCFYZRSJAZAM-AATRIKPKSA-N. The full InChI is InChI=1S/C5H13N2/c1-5(6)7(2,3)4/h6H,1-4H3/q+1/b6-5+.
What are the key properties of ethanimidoyl(trimethyl)azanium?
ethanimidoyl(trimethyl)azanium has a molecular weight of 101.17 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimidoyl(trimethyl)azanium is sourced from PubChem (CID 163584281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).