2-(2-methylhexoxy)ethanimine

C9H19NO — CID 91588392

IUPAC2-(2-methylhexoxy)ethanimine
SMILES[H]/N=C/COCC(C)CCCC
InChIInChI=1S/C9H19NO/c1-3-4-5-9(2)8-11-7-6-10/h6,9-10H,3-5,7-8H2,1-2H3/b10-6+
InChIKeyHSHZAZAHPSJCHT-UXBLZVDNSA-N
MW157.26 g/mol
LogP2.48
Rot. Bonds7

About 2-(2-methylhexoxy)ethanimine

2-(2-methylhexoxy)ethanimine (PubChem CID 91588392) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(2-methylhexoxy)ethanimine.

Molecular Properties

Compound Name2-(2-methylhexoxy)ethanimine
PubChem CID91588392
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(2-methylhexoxy)ethanimine
SMILES[H]/N=C/COCC(C)CCCC
InChIInChI=1S/C9H19NO/c1-3-4-5-9(2)8-11-7-6-10/h6,9-10H,3-5,7-8H2,1-2H3/b10-6+
InChIKeyHSHZAZAHPSJCHT-UXBLZVDNSA-N
XLogP2.48
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-methyl-2-propan-2-ylbutoxy)ethanimine
CID 89261696
1-[2-(2-ethoxyethoxy)ethoxy]-2-methylhexane
CID 59128190
hexan-2-yl methanimidate
CID 123742650
3-(2-methylhexoxy)propan-1-ol
CID 134975986
(E)-4-(2-methylpentoxy)but-2-en-1-amine
CID 103283875
tris(2-methylhexyl) borate
CID 89239573
1-hydroperoxyperoxy-2-methylhexane
CID 88552225
3-[2-(2-methylhexoxy)ethoxymethyl]octane
CID 171470353
2-methylhexyl nitrate
CID 14767741
(6-imino-4-methylhexyl) butanoate
CID 175264209
5,15-dimethylpentatriacontane
CID 6430641
5,17-dimethylnonacosane
CID 56936184

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylhexoxy)ethanimine?
The IUPAC name of 2-(2-methylhexoxy)ethanimine (CID 91588392) is 2-(2-methylhexoxy)ethanimine.
What is the SMILES notation for 2-(2-methylhexoxy)ethanimine?
The canonical SMILES for 2-(2-methylhexoxy)ethanimine is [H]/N=C/COCC(C)CCCC.
What is the InChIKey of 2-(2-methylhexoxy)ethanimine?
The InChIKey is HSHZAZAHPSJCHT-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-5-9(2)8-11-7-6-10/h6,9-10H,3-5,7-8H2,1-2H3/b10-6+.
What are the key properties of 2-(2-methylhexoxy)ethanimine?
2-(2-methylhexoxy)ethanimine has a molecular weight of 157.26 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylhexoxy)ethanimine is sourced from PubChem (CID 91588392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).