N-(1-hexoxypropan-2-ylidene)hydroxylamine

C9H19NO2 — CID 151613111

IUPACN-(1-hexoxypropan-2-ylidene)hydroxylamine
SMILESCCCCCCOCC(C)=NO
InChIInChI=1S/C9H19NO2/c1-3-4-5-6-7-12-8-9(2)10-11/h11H,3-8H2,1-2H3
InChIKeyQMXOYMNQLNGNNL-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.43
Rot. Bonds7

About N-(1-hexoxypropan-2-ylidene)hydroxylamine

N-(1-hexoxypropan-2-ylidene)hydroxylamine (PubChem CID 151613111) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(1-hexoxypropan-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-hexoxypropan-2-ylidene)hydroxylamine
PubChem CID151613111
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(1-hexoxypropan-2-ylidene)hydroxylamine
SMILESCCCCCCOCC(C)=NO
InChIInChI=1S/C9H19NO2/c1-3-4-5-6-7-12-8-9(2)10-11/h11H,3-8H2,1-2H3
InChIKeyQMXOYMNQLNGNNL-UHFFFAOYSA-N
XLogP2.43
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N-(1-hexoxypropan-2-ylidene)hydroxylamine?
The IUPAC name of N-(1-hexoxypropan-2-ylidene)hydroxylamine (CID 151613111) is N-(1-hexoxypropan-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(1-hexoxypropan-2-ylidene)hydroxylamine?
The canonical SMILES for N-(1-hexoxypropan-2-ylidene)hydroxylamine is CCCCCCOCC(C)=NO.
What is the InChIKey of N-(1-hexoxypropan-2-ylidene)hydroxylamine?
The InChIKey is QMXOYMNQLNGNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-4-5-6-7-12-8-9(2)10-11/h11H,3-8H2,1-2H3.
What are the key properties of N-(1-hexoxypropan-2-ylidene)hydroxylamine?
N-(1-hexoxypropan-2-ylidene)hydroxylamine has a molecular weight of 173.26 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hexoxypropan-2-ylidene)hydroxylamine is sourced from PubChem (CID 151613111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).