(NE)-N-[3-(3-methylphenyl)butan-2-ylidene]hydroxylamine

C11H15NO — CID 53344369

IUPAC(NE)-N-[3-(3-methylphenyl)butan-2-ylidene]hydroxylamine
SMILESC/C(=N\O)C(C)c1cccc(C)c1
InChIInChI=1S/C11H15NO/c1-8-5-4-6-11(7-8)9(2)10(3)12-13/h4-7,9,13H,1-3H3/b12-10+
InChIKeyYSOMEWULJYTBFT-ZRDIBKRKSA-N
MW177.25 g/mol
LogP2.95
Rot. Bonds2

About (NE)-N-[3-(3-methylphenyl)butan-2-ylidene]hydroxylamine

(NE)-N-[3-(3-methylphenyl)butan-2-ylidene]hydroxylamine (PubChem CID 53344369) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (NE)-N-[3-(3-methylphenyl)butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3-(3-methylphenyl)butan-2-ylidene]hydroxylamine
PubChem CID53344369
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(NE)-N-[3-(3-methylphenyl)butan-2-ylidene]hydroxylamine
SMILESC/C(=N\O)C(C)c1cccc(C)c1
InChIInChI=1S/C11H15NO/c1-8-5-4-6-11(7-8)9(2)10(3)12-13/h4-7,9,13H,1-3H3/b12-10+
InChIKeyYSOMEWULJYTBFT-ZRDIBKRKSA-N
XLogP2.95
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (NE)-N-[3-(3-methylphenyl)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

(2S)-2-(3-methylphenyl)propanoate
CID 86312552
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
3-(3-methylphenyl)-2-oxobutanoic acid
CID 15158864
sodium 2-(3-methylphenyl)propanoate
CID 23706698
1,2-bis(3-methylphenyl)propan-1-one
CID 145487890
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
1-(1-hydroperoxyethyl)-3-methylbenzene
CID 131858292
(1R,2R)-1-(3-methylphenyl)propane-1,2-diol
CID 134966873
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800
benzene;ethane;1-methyl-3-propan-2-ylbenzene
CID 143383161
CID 142381961
CID 142381961

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[3-(3-methylphenyl)butan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3-(3-methylphenyl)butan-2-ylidene]hydroxylamine (CID 53344369) is (NE)-N-[3-(3-methylphenyl)butan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3-(3-methylphenyl)butan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3-(3-methylphenyl)butan-2-ylidene]hydroxylamine is C/C(=N\O)C(C)c1cccc(C)c1.
What is the InChIKey of (NE)-N-[3-(3-methylphenyl)butan-2-ylidene]hydroxylamine?
The InChIKey is YSOMEWULJYTBFT-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-5-4-6-11(7-8)9(2)10(3)12-13/h4-7,9,13H,1-3H3/b12-10+.
What are the key properties of (NE)-N-[3-(3-methylphenyl)butan-2-ylidene]hydroxylamine?
(NE)-N-[3-(3-methylphenyl)butan-2-ylidene]hydroxylamine has a molecular weight of 177.25 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3-(3-methylphenyl)butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 53344369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).