trimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium chloride

C8H18ClN3O — CID 130715009

IUPACtrimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium chloride
SMILESCC(C)=NNC(=O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C8H17N3O.ClH/c1-7(2)9-10-8(12)6-11(3,4)5;/h6H2,1-5H3;1H
InChIKeyIHQNZDLKRVHXGX-UHFFFAOYSA-N
MW207.70 g/mol
LogP-2.79
Rot. Bonds3

About trimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium chloride

trimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium chloride (PubChem CID 130715009) has the molecular formula C8H18ClN3O and a molecular weight of 207.70 g/mol. Its IUPAC name is trimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium chloride
PubChem CID130715009
Molecular FormulaC8H18ClN3O
Molecular Weight207.70 g/mol
Exact Mass207.11
IUPAC Nametrimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium chloride
SMILESCC(C)=NNC(=O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C8H17N3O.ClH/c1-7(2)9-10-8(12)6-11(3,4)5;/h6H2,1-5H3;1H
InChIKeyIHQNZDLKRVHXGX-UHFFFAOYSA-N
XLogP-2.79
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 5-2.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 54599397
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CID 54599883
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CID 45088529
CID 45088529
CID 59964746
CID 59964746
CID 72608549
CID 72608549
CID 153789820
CID 153789820
CID 177293515
CID 177293515
CID 414844
CID 414844
CID 5474258
CID 5474258
CID 6400091
CID 6400091
CID 6800245
CID 6800245
CID 9572978
CID 9572978

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium chloride?
The IUPAC name of trimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium chloride (CID 130715009) is trimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium chloride.
What is the SMILES notation for trimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium chloride?
The canonical SMILES for trimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium chloride is CC(C)=NNC(=O)C[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium chloride?
The InChIKey is IHQNZDLKRVHXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O.ClH/c1-7(2)9-10-8(12)6-11(3,4)5;/h6H2,1-5H3;1H.
What are the key properties of trimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium chloride?
trimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium chloride has a molecular weight of 207.70 g/mol, XLogP of -2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium chloride is sourced from PubChem (CID 130715009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).