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

C8H18N3O+ — CID 130715010

IUPACtrimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium
SMILESCC(C)=NNC(=O)C[N+](C)(C)C
InChIInChI=1S/C8H17N3O/c1-7(2)9-10-8(12)6-11(3,4)5/h6H2,1-5H3/p+1
InChIKeyKRLHPVHCHVGUIH-UHFFFAOYSA-O
MW172.25 g/mol
LogP0.20
Rot. Bonds3

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

trimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium (PubChem CID 130715010) has the molecular formula C8H18N3O+ and a molecular weight of 172.25 g/mol. Its IUPAC name is trimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium
PubChem CID130715010
Molecular FormulaC8H18N3O+
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Nametrimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium
SMILESCC(C)=NNC(=O)C[N+](C)(C)C
InChIInChI=1S/C8H17N3O/c1-7(2)9-10-8(12)6-11(3,4)5/h6H2,1-5H3/p+1
InChIKeyKRLHPVHCHVGUIH-UHFFFAOYSA-O
XLogP0.20
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.20
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-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium?
The IUPAC name of trimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium (CID 130715010) is trimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium.
What is the SMILES notation for trimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium?
The canonical SMILES for trimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium is CC(C)=NNC(=O)C[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium?
The InChIKey is KRLHPVHCHVGUIH-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17N3O/c1-7(2)9-10-8(12)6-11(3,4)5/h6H2,1-5H3/p+1.
What are the key properties of trimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium?
trimethyl-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethyl]azanium has a molecular weight of 172.25 g/mol, XLogP of 0.20, 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 is sourced from PubChem (CID 130715010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).