potassium (1Z)-N-(dimethylazaniumyl)-2,2-dimethylpropanimidate

C7H16KN2O+ — CID 140577616

IUPACpotassium (1Z)-N-(dimethylazaniumyl)-2,2-dimethylpropanimidate
SMILESC[NH+](C)/N=C(\[O-])C(C)(C)C.[K+]
InChIInChI=1S/C7H16N2O.K/c1-7(2,3)6(10)8-9(4)5;/h1-5H3,(H,8,10);/q;+1
InChIKeySYVOVJPDSFBPLG-UHFFFAOYSA-N
MW183.32 g/mol
LogP-4.15
Rot. Bonds1

About potassium (1Z)-N-(dimethylazaniumyl)-2,2-dimethylpropanimidate

potassium (1Z)-N-(dimethylazaniumyl)-2,2-dimethylpropanimidate (PubChem CID 140577616) has the molecular formula C7H16KN2O+ and a molecular weight of 183.32 g/mol. Its IUPAC name is potassium (1Z)-N-(dimethylazaniumyl)-2,2-dimethylpropanimidate.

Molecular Properties

Compound Namepotassium (1Z)-N-(dimethylazaniumyl)-2,2-dimethylpropanimidate
PubChem CID140577616
Molecular FormulaC7H16KN2O+
Molecular Weight183.32 g/mol
Exact Mass183.09
IUPAC Namepotassium (1Z)-N-(dimethylazaniumyl)-2,2-dimethylpropanimidate
SMILESC[NH+](C)/N=C(\[O-])C(C)(C)C.[K+]
InChIInChI=1S/C7H16N2O.K/c1-7(2,3)6(10)8-9(4)5;/h1-5H3,(H,8,10);/q;+1
InChIKeySYVOVJPDSFBPLG-UHFFFAOYSA-N
XLogP-4.15
TPSA39.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 5-4.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E)-N-(dimethylazaniumyl)ethanimidate
CID 20676007
potassium 2,2-dimethylpropanoate
CID 23662159
(1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate
CID 155621283
CID 100948564
CID 100948564
2,2-dimethylpropanoate;palladium
CID 146681285
iodanium 2,2-dimethylpropanoate
CID 172810367
barium(2+);bis(2,2-dimethylpropanoate)
CID 15120173
potassium 1,1-dihydroxyethanolate
CID 142786674
dipotassium;2,2-dimethylpropanedioate
CID 87067111
tris(2,2-dimethylpropanoate);methyltin(3+)
CID 160806145
bis(3,3-dimethyl-2-methylidenebutanoate);iron(2+)
CID 175333497
(2,2-dimethylpropanoate);docosakis(iron(3+));dodecakis(oxygen(2-));dodecahydroxide
CID 139166121

Frequently Asked Questions

What is the IUPAC name of potassium (1Z)-N-(dimethylazaniumyl)-2,2-dimethylpropanimidate?
The IUPAC name of potassium (1Z)-N-(dimethylazaniumyl)-2,2-dimethylpropanimidate (CID 140577616) is potassium (1Z)-N-(dimethylazaniumyl)-2,2-dimethylpropanimidate.
What is the SMILES notation for potassium (1Z)-N-(dimethylazaniumyl)-2,2-dimethylpropanimidate?
The canonical SMILES for potassium (1Z)-N-(dimethylazaniumyl)-2,2-dimethylpropanimidate is C[NH+](C)/N=C(\[O-])C(C)(C)C.[K+].
What is the InChIKey of potassium (1Z)-N-(dimethylazaniumyl)-2,2-dimethylpropanimidate?
The InChIKey is SYVOVJPDSFBPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.K/c1-7(2,3)6(10)8-9(4)5;/h1-5H3,(H,8,10);/q;+1.
What are the key properties of potassium (1Z)-N-(dimethylazaniumyl)-2,2-dimethylpropanimidate?
potassium (1Z)-N-(dimethylazaniumyl)-2,2-dimethylpropanimidate has a molecular weight of 183.32 g/mol, XLogP of -4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (1Z)-N-(dimethylazaniumyl)-2,2-dimethylpropanimidate is sourced from PubChem (CID 140577616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).