2-heptoxy-N,N-dimethylethanamine

C11H25NO — CID 14330631

IUPAC2-heptoxy-N,N-dimethylethanamine
SMILESCCCCCCCOCCN(C)C
InChIInChI=1S/C11H25NO/c1-4-5-6-7-8-10-13-11-9-12(2)3/h4-11H2,1-3H3
InChIKeyRUOIDUVXLQMCLH-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.54
Rot. Bonds9

About 2-heptoxy-N,N-dimethylethanamine

2-heptoxy-N,N-dimethylethanamine (PubChem CID 14330631) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-heptoxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-heptoxy-N,N-dimethylethanamine
PubChem CID14330631
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-heptoxy-N,N-dimethylethanamine
SMILESCCCCCCCOCCN(C)C
InChIInChI=1S/C11H25NO/c1-4-5-6-7-8-10-13-11-9-12(2)3/h4-11H2,1-3H3
InChIKeyRUOIDUVXLQMCLH-UHFFFAOYSA-N
XLogP2.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.54
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-heptoxy-N,N-dimethylethanamine?
The IUPAC name of 2-heptoxy-N,N-dimethylethanamine (CID 14330631) is 2-heptoxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-heptoxy-N,N-dimethylethanamine?
The canonical SMILES for 2-heptoxy-N,N-dimethylethanamine is CCCCCCCOCCN(C)C.
What is the InChIKey of 2-heptoxy-N,N-dimethylethanamine?
The InChIKey is RUOIDUVXLQMCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-5-6-7-8-10-13-11-9-12(2)3/h4-11H2,1-3H3.
What are the key properties of 2-heptoxy-N,N-dimethylethanamine?
2-heptoxy-N,N-dimethylethanamine has a molecular weight of 187.33 g/mol, XLogP of 2.54, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptoxy-N,N-dimethylethanamine is sourced from PubChem (CID 14330631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).