trimethyl-[2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-2-oxoethyl]azanium

C9H20N3O+ — CID 139038897

IUPACtrimethyl-[2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-2-oxoethyl]azanium
SMILESCC(C)/C=N/NC(=O)C[N+](C)(C)C
InChIInChI=1S/C9H19N3O/c1-8(2)6-10-11-9(13)7-12(3,4)5/h6,8H,7H2,1-5H3/p+1/b10-6+
InChIKeyLBHYKVCTMOWQAI-UXBLZVDNSA-O
MW186.28 g/mol
LogP0.45
Rot. Bonds4

About trimethyl-[2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-2-oxoethyl]azanium

trimethyl-[2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-2-oxoethyl]azanium (PubChem CID 139038897) has the molecular formula C9H20N3O+ and a molecular weight of 186.28 g/mol. Its IUPAC name is trimethyl-[2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-2-oxoethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-2-oxoethyl]azanium
PubChem CID139038897
Molecular FormulaC9H20N3O+
Molecular Weight186.28 g/mol
Exact Mass186.16
IUPAC Nametrimethyl-[2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-2-oxoethyl]azanium
SMILESCC(C)/C=N/NC(=O)C[N+](C)(C)C
InChIInChI=1S/C9H19N3O/c1-8(2)6-10-11-9(13)7-12(3,4)5/h6,8H,7H2,1-5H3/p+1/b10-6+
InChIKeyLBHYKVCTMOWQAI-UXBLZVDNSA-O
XLogP0.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.45
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
CID 54599397
CID 54599883
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CID 57733932
CID 57733932
CID 88070499
CID 88070499
CID 177293515
CID 177293515
CID 414844
CID 414844
CID 5474258
CID 5474258
CID 6400091
CID 6400091
CID 6800245
CID 6800245
CID 9572978
CID 9572978
CID 9573031
CID 9573031
CID 24187413
CID 24187413

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-2-oxoethyl]azanium?
The IUPAC name of trimethyl-[2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-2-oxoethyl]azanium (CID 139038897) is trimethyl-[2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-2-oxoethyl]azanium.
What is the SMILES notation for trimethyl-[2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-2-oxoethyl]azanium?
The canonical SMILES for trimethyl-[2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-2-oxoethyl]azanium is CC(C)/C=N/NC(=O)C[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-2-oxoethyl]azanium?
The InChIKey is LBHYKVCTMOWQAI-UXBLZVDNSA-O. The full InChI is InChI=1S/C9H19N3O/c1-8(2)6-10-11-9(13)7-12(3,4)5/h6,8H,7H2,1-5H3/p+1/b10-6+.
What are the key properties of trimethyl-[2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-2-oxoethyl]azanium?
trimethyl-[2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-2-oxoethyl]azanium has a molecular weight of 186.28 g/mol, XLogP of 0.45, 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-(2-methylpropylidene)hydrazinyl]-2-oxoethyl]azanium is sourced from PubChem (CID 139038897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).