trimethyl-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-2-oxoethyl]azanium

C10H22N3O+ — CID 177293515

IUPACtrimethyl-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-2-oxoethyl]azanium
SMILESC/C(=N\NC(=O)C[N+](C)(C)C)C(C)C
InChIInChI=1S/C10H21N3O/c1-8(2)9(3)11-12-10(14)7-13(4,5)6/h8H,7H2,1-6H3/p+1/b11-9+
InChIKeyQYRSKJVJXIPPJI-PKNBQFBNSA-O
MW200.31 g/mol
LogP0.84
Rot. Bonds4

About trimethyl-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-2-oxoethyl]azanium

trimethyl-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-2-oxoethyl]azanium (PubChem CID 177293515) has the molecular formula C10H22N3O+ and a molecular weight of 200.31 g/mol. Its IUPAC name is trimethyl-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-2-oxoethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-2-oxoethyl]azanium
PubChem CID177293515
Molecular FormulaC10H22N3O+
Molecular Weight200.31 g/mol
Exact Mass200.18
IUPAC Nametrimethyl-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-2-oxoethyl]azanium
SMILESC/C(=N\NC(=O)C[N+](C)(C)C)C(C)C
InChIInChI=1S/C10H21N3O/c1-8(2)9(3)11-12-10(14)7-13(4,5)6/h8H,7H2,1-6H3/p+1/b11-9+
InChIKeyQYRSKJVJXIPPJI-PKNBQFBNSA-O
XLogP0.84
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.84
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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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-2-oxoethyl]azanium?
The IUPAC name of trimethyl-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-2-oxoethyl]azanium (CID 177293515) is trimethyl-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-2-oxoethyl]azanium.
What is the SMILES notation for trimethyl-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-2-oxoethyl]azanium?
The canonical SMILES for trimethyl-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-2-oxoethyl]azanium is C/C(=N\NC(=O)C[N+](C)(C)C)C(C)C.
What is the InChIKey of trimethyl-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-2-oxoethyl]azanium?
The InChIKey is QYRSKJVJXIPPJI-PKNBQFBNSA-O. The full InChI is InChI=1S/C10H21N3O/c1-8(2)9(3)11-12-10(14)7-13(4,5)6/h8H,7H2,1-6H3/p+1/b11-9+.
What are the key properties of trimethyl-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-2-oxoethyl]azanium?
trimethyl-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-2-oxoethyl]azanium has a molecular weight of 200.31 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-2-oxoethyl]azanium is sourced from PubChem (CID 177293515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).