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

C10H22N3O+ — CID 5474258

IUPACtrimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium
SMILESCCCC/C=N\NC(=O)C[N+](C)(C)C
InChIInChI=1S/C10H21N3O/c1-5-6-7-8-11-12-10(14)9-13(2,3)4/h8H,5-7,9H2,1-4H3/p+1/b11-8-
InChIKeyDBDVRVSVONMLNM-FLIBITNWSA-O
MW200.31 g/mol
LogP0.98
Rot. Bonds6

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

trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium (PubChem CID 5474258) has the molecular formula C10H22N3O+ and a molecular weight of 200.31 g/mol. Its IUPAC name is trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium
PubChem CID5474258
Molecular FormulaC10H22N3O+
Molecular Weight200.31 g/mol
Exact Mass200.18
IUPAC Nametrimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium
SMILESCCCC/C=N\NC(=O)C[N+](C)(C)C
InChIInChI=1S/C10H21N3O/c1-5-6-7-8-11-12-10(14)9-13(2,3)4/h8H,5-7,9H2,1-4H3/p+1/b11-8-
InChIKeyDBDVRVSVONMLNM-FLIBITNWSA-O
XLogP0.98
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.98
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?
The IUPAC name of trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium (CID 5474258) is trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium?
The canonical SMILES for trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium is CCCC/C=N\NC(=O)C[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium?
The InChIKey is DBDVRVSVONMLNM-FLIBITNWSA-O. The full InChI is InChI=1S/C10H21N3O/c1-5-6-7-8-11-12-10(14)9-13(2,3)4/h8H,5-7,9H2,1-4H3/p+1/b11-8-.
What are the key properties of trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium?
trimethyl-[2-oxo-2-[(2Z)-2-pentylidenehydrazinyl]ethyl]azanium has a molecular weight of 200.31 g/mol, XLogP of 0.98, 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 is sourced from PubChem (CID 5474258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).