N-(4-methylhexylidene)hydroxylamine

C7H15NO — CID 163845285

IUPACN-(4-methylhexylidene)hydroxylamine
SMILESCCC(C)CCC=NO
InChIInChI=1S/C7H15NO/c1-3-7(2)5-4-6-8-9/h6-7,9H,3-5H2,1-2H3
InChIKeyOPPOEOKQXUZDBZ-UHFFFAOYSA-N
MW129.20 g/mol
LogP2.27
Rot. Bonds4

About N-(4-methylhexylidene)hydroxylamine

N-(4-methylhexylidene)hydroxylamine (PubChem CID 163845285) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-(4-methylhexylidene)hydroxylamine.

Molecular Properties

Compound NameN-(4-methylhexylidene)hydroxylamine
PubChem CID163845285
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-(4-methylhexylidene)hydroxylamine
SMILESCCC(C)CCC=NO
InChIInChI=1S/C7H15NO/c1-3-7(2)5-4-6-8-9/h6-7,9H,3-5H2,1-2H3
InChIKeyOPPOEOKQXUZDBZ-UHFFFAOYSA-N
XLogP2.27
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

N-(4-ethyloctylidene)hydroxylamine
CID 174966103
butane;ethane;5-methylhept-1-ene
CID 143370195
2,9-dimethylundec-5-ene
CID 123952487
2,7-dimethylnona-2,3-diene
CID 123700198
alumane;5-methylheptanal
CID 175597367
4,7-dimethylnonanal
CID 87290996
2,3,8-trimethyldec-3-ene
CID 123648225
N-(5-methylheptan-2-ylidene)hydroxylamine
CID 139940320
5-methyl-1-(5-methylhept-1-enoxy)hept-1-ene
CID 139882070
8-methyldec-3-ene
CID 54115614
2,11-dimethyltridec-6-ene
CID 123657363
(4S,5S)-4,5-dimethylhept-6-enal;(NE)-N-[(4S,5S)-4,5-dimethylhept-6-enylidene]hydroxylamine
CID 172932390

Frequently Asked Questions

What is the IUPAC name of N-(4-methylhexylidene)hydroxylamine?
The IUPAC name of N-(4-methylhexylidene)hydroxylamine (CID 163845285) is N-(4-methylhexylidene)hydroxylamine.
What is the SMILES notation for N-(4-methylhexylidene)hydroxylamine?
The canonical SMILES for N-(4-methylhexylidene)hydroxylamine is CCC(C)CCC=NO.
What is the InChIKey of N-(4-methylhexylidene)hydroxylamine?
The InChIKey is OPPOEOKQXUZDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-7(2)5-4-6-8-9/h6-7,9H,3-5H2,1-2H3.
What are the key properties of N-(4-methylhexylidene)hydroxylamine?
N-(4-methylhexylidene)hydroxylamine has a molecular weight of 129.20 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylhexylidene)hydroxylamine is sourced from PubChem (CID 163845285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).