trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium chloride

C10H22ClN3O — CID 54599397

IUPACtrimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium chloride
SMILESCCCC/C=N\NC(=O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H21N3O.ClH/c1-5-6-7-8-11-12-10(14)9-13(2,3)4;/h8H,5-7,9H2,1-4H3;1H/b11-8-;
InChIKeyLVXASEKFRFPBFT-MKFZHGHUSA-N
MW235.76 g/mol
LogP-2.01
Rot. Bonds6

About trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium chloride

trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium chloride (PubChem CID 54599397) has the molecular formula C10H22ClN3O and a molecular weight of 235.76 g/mol. Its IUPAC name is trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium chloride
PubChem CID54599397
Molecular FormulaC10H22ClN3O
Molecular Weight235.76 g/mol
Exact Mass235.15
IUPAC Nametrimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium chloride
SMILESCCCC/C=N\NC(=O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H21N3O.ClH/c1-5-6-7-8-11-12-10(14)9-13(2,3)4;/h8H,5-7,9H2,1-4H3;1H/b11-8-;
InChIKeyLVXASEKFRFPBFT-MKFZHGHUSA-N
XLogP-2.01
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 5-2.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium chloride?
The IUPAC name of trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium chloride (CID 54599397) is trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium chloride.
What is the SMILES notation for trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium chloride?
The canonical SMILES for trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium chloride is CCCC/C=N\NC(=O)C[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium chloride?
The InChIKey is LVXASEKFRFPBFT-MKFZHGHUSA-N. The full InChI is InChI=1S/C10H21N3O.ClH/c1-5-6-7-8-11-12-10(14)9-13(2,3)4;/h8H,5-7,9H2,1-4H3;1H/b11-8-;.
What are the key properties of trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium chloride?
trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium chloride has a molecular weight of 235.76 g/mol, XLogP of -2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium chloride is sourced from PubChem (CID 54599397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).