6-ethoxy-N-ethyl-2-methylhexan-2-amine

C11H25NO — CID 123957035

IUPAC6-ethoxy-N-ethyl-2-methylhexan-2-amine
SMILESCCNC(C)(C)CCCCOCC
InChIInChI=1S/C11H25NO/c1-5-12-11(3,4)9-7-8-10-13-6-2/h12H,5-10H2,1-4H3
InChIKeyCLDQBAXBPLTLFI-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.58
Rot. Bonds8

About 6-ethoxy-N-ethyl-2-methylhexan-2-amine

6-ethoxy-N-ethyl-2-methylhexan-2-amine (PubChem CID 123957035) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 6-ethoxy-N-ethyl-2-methylhexan-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-ethyl-2-methylhexan-2-amine
PubChem CID123957035
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name6-ethoxy-N-ethyl-2-methylhexan-2-amine
SMILESCCNC(C)(C)CCCCOCC
InChIInChI=1S/C11H25NO/c1-5-12-11(3,4)9-7-8-10-13-6-2/h12H,5-10H2,1-4H3
InChIKeyCLDQBAXBPLTLFI-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.58
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-N-ethyl-2-methylhexan-2-amine?
The IUPAC name of 6-ethoxy-N-ethyl-2-methylhexan-2-amine (CID 123957035) is 6-ethoxy-N-ethyl-2-methylhexan-2-amine.
What is the SMILES notation for 6-ethoxy-N-ethyl-2-methylhexan-2-amine?
The canonical SMILES for 6-ethoxy-N-ethyl-2-methylhexan-2-amine is CCNC(C)(C)CCCCOCC.
What is the InChIKey of 6-ethoxy-N-ethyl-2-methylhexan-2-amine?
The InChIKey is CLDQBAXBPLTLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-12-11(3,4)9-7-8-10-13-6-2/h12H,5-10H2,1-4H3.
What are the key properties of 6-ethoxy-N-ethyl-2-methylhexan-2-amine?
6-ethoxy-N-ethyl-2-methylhexan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-ethyl-2-methylhexan-2-amine is sourced from PubChem (CID 123957035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).