cumene;N-ethylhydroxylamine

C11H19NO — CID 157267693

IUPACcumene;N-ethylhydroxylamine
SMILESCC(C)c1ccccc1.CCNO
InChIInChI=1S/C9H12.C2H7NO/c1-8(2)9-6-4-3-5-7-9;1-2-3-4/h3-8H,1-2H3;3-4H,2H2,1H3
InChIKeyAYEKJWMPCPRTGJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.80
Rot. Bonds2

About cumene;N-ethylhydroxylamine

cumene;N-ethylhydroxylamine (PubChem CID 157267693) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is cumene;N-ethylhydroxylamine.

Molecular Properties

Compound Namecumene;N-ethylhydroxylamine
PubChem CID157267693
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Namecumene;N-ethylhydroxylamine
SMILESCC(C)c1ccccc1.CCNO
InChIInChI=1S/C9H12.C2H7NO/c1-8(2)9-6-4-3-5-7-9;1-2-3-4/h3-8H,1-2H3;3-4H,2H2,1H3
InChIKeyAYEKJWMPCPRTGJ-UHFFFAOYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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cumene;ethane
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CID 160506105
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Frequently Asked Questions

What is the IUPAC name of cumene;N-ethylhydroxylamine?
The IUPAC name of cumene;N-ethylhydroxylamine (CID 157267693) is cumene;N-ethylhydroxylamine.
What is the SMILES notation for cumene;N-ethylhydroxylamine?
The canonical SMILES for cumene;N-ethylhydroxylamine is CC(C)c1ccccc1.CCNO.
What is the InChIKey of cumene;N-ethylhydroxylamine?
The InChIKey is AYEKJWMPCPRTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C2H7NO/c1-8(2)9-6-4-3-5-7-9;1-2-3-4/h3-8H,1-2H3;3-4H,2H2,1H3.
What are the key properties of cumene;N-ethylhydroxylamine?
cumene;N-ethylhydroxylamine has a molecular weight of 181.28 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;N-ethylhydroxylamine is sourced from PubChem (CID 157267693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).