(NE)-N-[1-(2,4-dimethylphenyl)propan-2-ylidene]hydroxylamine

C11H15NO — CID 24721590

IUPAC(NE)-N-[1-(2,4-dimethylphenyl)propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccc(C)cc1C)=N\O
InChIInChI=1S/C11H15NO/c1-8-4-5-11(9(2)6-8)7-10(3)12-13/h4-6,13H,7H2,1-3H3/b12-10+
InChIKeyNMVMKQXEGZYHSY-ZRDIBKRKSA-N
MW177.25 g/mol
LogP2.70
Rot. Bonds2

About (NE)-N-[1-(2,4-dimethylphenyl)propan-2-ylidene]hydroxylamine

(NE)-N-[1-(2,4-dimethylphenyl)propan-2-ylidene]hydroxylamine (PubChem CID 24721590) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (NE)-N-[1-(2,4-dimethylphenyl)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2,4-dimethylphenyl)propan-2-ylidene]hydroxylamine
PubChem CID24721590
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(NE)-N-[1-(2,4-dimethylphenyl)propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccc(C)cc1C)=N\O
InChIInChI=1S/C11H15NO/c1-8-4-5-11(9(2)6-8)7-10(3)12-13/h4-6,13H,7H2,1-3H3/b12-10+
InChIKeyNMVMKQXEGZYHSY-ZRDIBKRKSA-N
XLogP2.70
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 ≤ 52.70
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'}

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Related Compounds

(NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine
CID 91619623
2,4-dimethyl-1-(3-methyl-2-methylidenebut-3-enyl)benzene
CID 143489955
2-(2,4-dimethylphenyl)ethanethioamide
CID 82075040
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
2-(2,4-dimethylphenyl)acetyl isocyanate
CID 83530587
[(E)-1-(2,4-dimethylphenyl)propan-2-ylideneamino] 2-(2-methylphenoxy)acetate
CID 153439923
N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 16774947
(2,4-dimethylphenyl)methanamine;propane
CID 143780972
(NE)-N-[1-(2,4-dimethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 24721588
1-[(2,4-dimethylphenyl)methylamino]propan-2-one
CID 115234682
1-amino-6-(2,4-dimethylphenyl)hexane-2,5-dione
CID 158299376
2-(2,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 7596977

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(2,4-dimethylphenyl)propan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2,4-dimethylphenyl)propan-2-ylidene]hydroxylamine (CID 24721590) is (NE)-N-[1-(2,4-dimethylphenyl)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2,4-dimethylphenyl)propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2,4-dimethylphenyl)propan-2-ylidene]hydroxylamine is C/C(Cc1ccc(C)cc1C)=N\O.
What is the InChIKey of (NE)-N-[1-(2,4-dimethylphenyl)propan-2-ylidene]hydroxylamine?
The InChIKey is NMVMKQXEGZYHSY-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-4-5-11(9(2)6-8)7-10(3)12-13/h4-6,13H,7H2,1-3H3/b12-10+.
What are the key properties of (NE)-N-[1-(2,4-dimethylphenyl)propan-2-ylidene]hydroxylamine?
(NE)-N-[1-(2,4-dimethylphenyl)propan-2-ylidene]hydroxylamine has a molecular weight of 177.25 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2,4-dimethylphenyl)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 24721590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).