6-ethoxy-2,4,4-trimethylhexan-2-amine

C11H25NO — CID 163582313

IUPAC6-ethoxy-2,4,4-trimethylhexan-2-amine
SMILESCCOCCC(C)(C)CC(C)(C)N
InChIInChI=1S/C11H25NO/c1-6-13-8-7-10(2,3)9-11(4,5)12/h6-9,12H2,1-5H3
InChIKeyGIOPJIBFODLIGZ-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.57
Rot. Bonds6

About 6-ethoxy-2,4,4-trimethylhexan-2-amine

6-ethoxy-2,4,4-trimethylhexan-2-amine (PubChem CID 163582313) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 6-ethoxy-2,4,4-trimethylhexan-2-amine.

Molecular Properties

Compound Name6-ethoxy-2,4,4-trimethylhexan-2-amine
PubChem CID163582313
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name6-ethoxy-2,4,4-trimethylhexan-2-amine
SMILESCCOCCC(C)(C)CC(C)(C)N
InChIInChI=1S/C11H25NO/c1-6-13-8-7-10(2,3)9-11(4,5)12/h6-9,12H2,1-5H3
InChIKeyGIOPJIBFODLIGZ-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2,4,4-trimethylhexan-2-amine?
The IUPAC name of 6-ethoxy-2,4,4-trimethylhexan-2-amine (CID 163582313) is 6-ethoxy-2,4,4-trimethylhexan-2-amine.
What is the SMILES notation for 6-ethoxy-2,4,4-trimethylhexan-2-amine?
The canonical SMILES for 6-ethoxy-2,4,4-trimethylhexan-2-amine is CCOCCC(C)(C)CC(C)(C)N.
What is the InChIKey of 6-ethoxy-2,4,4-trimethylhexan-2-amine?
The InChIKey is GIOPJIBFODLIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-13-8-7-10(2,3)9-11(4,5)12/h6-9,12H2,1-5H3.
What are the key properties of 6-ethoxy-2,4,4-trimethylhexan-2-amine?
6-ethoxy-2,4,4-trimethylhexan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2,4,4-trimethylhexan-2-amine is sourced from PubChem (CID 163582313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).