N-(2,3,3-trimethyloctan-4-ylidene)hydroxylamine

C11H23NO — CID 155617632

IUPACN-(2,3,3-trimethyloctan-4-ylidene)hydroxylamine
SMILESCCCCC(=NO)C(C)(C)C(C)C
InChIInChI=1S/C11H23NO/c1-6-7-8-10(12-13)11(4,5)9(2)3/h9,13H,6-8H2,1-5H3
InChIKeyBEIXWALORZXYPJ-UHFFFAOYSA-N
MW185.31 g/mol
LogP3.69
Rot. Bonds5

About N-(2,3,3-trimethyloctan-4-ylidene)hydroxylamine

N-(2,3,3-trimethyloctan-4-ylidene)hydroxylamine (PubChem CID 155617632) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(2,3,3-trimethyloctan-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2,3,3-trimethyloctan-4-ylidene)hydroxylamine
PubChem CID155617632
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(2,3,3-trimethyloctan-4-ylidene)hydroxylamine
SMILESCCCCC(=NO)C(C)(C)C(C)C
InChIInChI=1S/C11H23NO/c1-6-7-8-10(12-13)11(4,5)9(2)3/h9,13H,6-8H2,1-5H3
InChIKeyBEIXWALORZXYPJ-UHFFFAOYSA-N
XLogP3.69
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 53.69
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

4,5,5-trimethylundecan-6-one
CID 173241130
(7R)-6,6,7,11-tetramethyldodec-10-en-5-one
CID 87515653
N-(3-methylheptan-4-ylidene)hydroxylamine
CID 88758606
4-ethylidene-3-methyloctane
CID 90798217
(3S)-2,3-dimethyloctan-3-ol
CID 25021578
(E)-N-[(E)-heptan-3-ylideneamino]heptan-3-imine
CID 6392818
hexane;2,3,4-trimethylpentan-3-amine
CID 174790441
4-methylheptan-4-yl pentanoate
CID 170214074
ethane;2-methylnonane;2,3,3,4-tetramethylpent-1-ene
CID 178052039
2-hydroxyiminohexanoic acid
CID 6399040
3-ethyl-2,3,4-trimethyloctane
CID 57491124
2,3-dimethyltridecan-3-ol
CID 14591139

Frequently Asked Questions

What is the IUPAC name of N-(2,3,3-trimethyloctan-4-ylidene)hydroxylamine?
The IUPAC name of N-(2,3,3-trimethyloctan-4-ylidene)hydroxylamine (CID 155617632) is N-(2,3,3-trimethyloctan-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(2,3,3-trimethyloctan-4-ylidene)hydroxylamine?
The canonical SMILES for N-(2,3,3-trimethyloctan-4-ylidene)hydroxylamine is CCCCC(=NO)C(C)(C)C(C)C.
What is the InChIKey of N-(2,3,3-trimethyloctan-4-ylidene)hydroxylamine?
The InChIKey is BEIXWALORZXYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-7-8-10(12-13)11(4,5)9(2)3/h9,13H,6-8H2,1-5H3.
What are the key properties of N-(2,3,3-trimethyloctan-4-ylidene)hydroxylamine?
N-(2,3,3-trimethyloctan-4-ylidene)hydroxylamine has a molecular weight of 185.31 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3-trimethyloctan-4-ylidene)hydroxylamine is sourced from PubChem (CID 155617632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).