(NZ)-N-[3-methyl-1-(1-methylimidazol-2-yl)butan-2-ylidene]hydroxylamine

C9H15N3O — CID 171986172

IUPAC(NZ)-N-[3-methyl-1-(1-methylimidazol-2-yl)butan-2-ylidene]hydroxylamine
SMILESCC(C)/C(Cc1nccn1C)=N\O
InChIInChI=1S/C9H15N3O/c1-7(2)8(11-13)6-9-10-4-5-12(9)3/h4-5,7,13H,6H2,1-3H3/b11-8-
InChIKeyTYOQKTAFNRUONO-FLIBITNWSA-N
MW181.24 g/mol
LogP1.45
Rot. Bonds3

About (NZ)-N-[3-methyl-1-(1-methylimidazol-2-yl)butan-2-ylidene]hydroxylamine

(NZ)-N-[3-methyl-1-(1-methylimidazol-2-yl)butan-2-ylidene]hydroxylamine (PubChem CID 171986172) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (NZ)-N-[3-methyl-1-(1-methylimidazol-2-yl)butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[3-methyl-1-(1-methylimidazol-2-yl)butan-2-ylidene]hydroxylamine
PubChem CID171986172
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(NZ)-N-[3-methyl-1-(1-methylimidazol-2-yl)butan-2-ylidene]hydroxylamine
SMILESCC(C)/C(Cc1nccn1C)=N\O
InChIInChI=1S/C9H15N3O/c1-7(2)8(11-13)6-9-10-4-5-12(9)3/h4-5,7,13H,6H2,1-3H3/b11-8-
InChIKeyTYOQKTAFNRUONO-FLIBITNWSA-N
XLogP1.45
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NZ)-N-[3-methyl-1-(1-methylimidazol-2-yl)butan-2-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(1-methylimidazol-2-yl)butan-2-one
CID 116551768
3-amino-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one
CID 116549035
1-(1-methylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79743827
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium
CID 174757497
hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate
CID 174920085
2-(fluoromethyl)-1-methylimidazole
CID 11679811
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
CID 175427574
2-(5-bromohexyl)-1-methylimidazole
CID 114532192
2-(3-bromo-2-methylpropyl)-1-methylimidazole
CID 64671780
7-amino-5-methyl-1-(1-methylimidazol-2-yl)heptan-2-one
CID 116581679

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[3-methyl-1-(1-methylimidazol-2-yl)butan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[3-methyl-1-(1-methylimidazol-2-yl)butan-2-ylidene]hydroxylamine (CID 171986172) is (NZ)-N-[3-methyl-1-(1-methylimidazol-2-yl)butan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[3-methyl-1-(1-methylimidazol-2-yl)butan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[3-methyl-1-(1-methylimidazol-2-yl)butan-2-ylidene]hydroxylamine is CC(C)/C(Cc1nccn1C)=N\O.
What is the InChIKey of (NZ)-N-[3-methyl-1-(1-methylimidazol-2-yl)butan-2-ylidene]hydroxylamine?
The InChIKey is TYOQKTAFNRUONO-FLIBITNWSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)8(11-13)6-9-10-4-5-12(9)3/h4-5,7,13H,6H2,1-3H3/b11-8-.
What are the key properties of (NZ)-N-[3-methyl-1-(1-methylimidazol-2-yl)butan-2-ylidene]hydroxylamine?
(NZ)-N-[3-methyl-1-(1-methylimidazol-2-yl)butan-2-ylidene]hydroxylamine has a molecular weight of 181.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3-methyl-1-(1-methylimidazol-2-yl)butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 171986172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).