N-(5-methylhexan-2-ylidene)hydroxylamine

C7H15NO — CID 12212

IUPACN-(5-methylhexan-2-ylidene)hydroxylamine
SMILESCC(CCC(C)C)=NO
InChIInChI=1S/C7H15NO/c1-6(2)4-5-7(3)8-9/h6,9H,4-5H2,1-3H3
InChIKeyZVZUNLVAVHYXNI-UHFFFAOYSA-N
MW129.20 g/mol
LogP2.27
Rot. Bonds3

About N-(5-methylhexan-2-ylidene)hydroxylamine

N-(5-methylhexan-2-ylidene)hydroxylamine (PubChem CID 12212) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-(5-methylhexan-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(5-methylhexan-2-ylidene)hydroxylamine
PubChem CID12212
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-(5-methylhexan-2-ylidene)hydroxylamine
SMILESCC(CCC(C)C)=NO
InChIInChI=1S/C7H15NO/c1-6(2)4-5-7(3)8-9/h6,9H,4-5H2,1-3H3
InChIKeyZVZUNLVAVHYXNI-UHFFFAOYSA-N
XLogP2.27
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 52.27
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

3-Methyl-5-heptanone oxime
CID 90787
4-Methyl-2-pentanone oxime, (E)-
CID 5354076
2,4-Dimethylpentan-3-one oxime
CID 70685
2-Hexanone, 5-methyl-, oxime
CID 9570075
3-Hexanone, 2-methyl-, oxime
CID 57358937
4-Methyl-2-pentanone oxime
CID 7756
N-(3-methylbutan-2-ylidene)hydroxylamine
CID 5480046
Cyclohexanone, 2-methyl-, oxime
CID 5382393
4-Methylcyclohexanone oxime
CID 236590
2-Butanone, 3-methyl-, oxime
CID 286827
Hexan-2-one oxime
CID 96415
2-Hexanone, oxime
CID 5357205

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-ylidene)hydroxylamine?
The IUPAC name of N-(5-methylhexan-2-ylidene)hydroxylamine (CID 12212) is N-(5-methylhexan-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(5-methylhexan-2-ylidene)hydroxylamine?
The canonical SMILES for N-(5-methylhexan-2-ylidene)hydroxylamine is CC(CCC(C)C)=NO.
What is the InChIKey of N-(5-methylhexan-2-ylidene)hydroxylamine?
The InChIKey is ZVZUNLVAVHYXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(2)4-5-7(3)8-9/h6,9H,4-5H2,1-3H3.
What are the key properties of N-(5-methylhexan-2-ylidene)hydroxylamine?
N-(5-methylhexan-2-ylidene)hydroxylamine has a molecular weight of 129.20 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-ylidene)hydroxylamine is sourced from PubChem (CID 12212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).