2-hexoxy-N,N-dimethylethanamine

C10H23NO — CID 54475092

IUPAC2-hexoxy-N,N-dimethylethanamine
SMILESCCCCCCOCCN(C)C
InChIInChI=1S/C10H23NO/c1-4-5-6-7-9-12-10-8-11(2)3/h4-10H2,1-3H3
InChIKeyBMTJABPSCZAVKO-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.14
Rot. Bonds8

About 2-hexoxy-N,N-dimethylethanamine

2-hexoxy-N,N-dimethylethanamine (PubChem CID 54475092) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-hexoxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-hexoxy-N,N-dimethylethanamine
PubChem CID54475092
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name2-hexoxy-N,N-dimethylethanamine
SMILESCCCCCCOCCN(C)C
InChIInChI=1S/C10H23NO/c1-4-5-6-7-9-12-10-8-11(2)3/h4-10H2,1-3H3
InChIKeyBMTJABPSCZAVKO-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
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 2-hexoxy-N,N-dimethylethanamine?
The IUPAC name of 2-hexoxy-N,N-dimethylethanamine (CID 54475092) is 2-hexoxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-hexoxy-N,N-dimethylethanamine?
The canonical SMILES for 2-hexoxy-N,N-dimethylethanamine is CCCCCCOCCN(C)C.
What is the InChIKey of 2-hexoxy-N,N-dimethylethanamine?
The InChIKey is BMTJABPSCZAVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-5-6-7-9-12-10-8-11(2)3/h4-10H2,1-3H3.
What are the key properties of 2-hexoxy-N,N-dimethylethanamine?
2-hexoxy-N,N-dimethylethanamine has a molecular weight of 173.30 g/mol, XLogP of 2.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-N,N-dimethylethanamine is sourced from PubChem (CID 54475092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).