2-dodecoxy-N-methylethanamine

C15H33NO — CID 55187666

IUPAC2-dodecoxy-N-methylethanamine
SMILESCCCCCCCCCCCCOCCNC
InChIInChI=1S/C15H33NO/c1-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-2/h16H,3-15H2,1-2H3
InChIKeyJOARDNHHAXFOKE-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.14
Rot. Bonds14

About 2-dodecoxy-N-methylethanamine

2-dodecoxy-N-methylethanamine (PubChem CID 55187666) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 2-dodecoxy-N-methylethanamine.

Molecular Properties

Compound Name2-dodecoxy-N-methylethanamine
PubChem CID55187666
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name2-dodecoxy-N-methylethanamine
SMILESCCCCCCCCCCCCOCCNC
InChIInChI=1S/C15H33NO/c1-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-2/h16H,3-15H2,1-2H3
InChIKeyJOARDNHHAXFOKE-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.14
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 2-dodecoxy-N-methylethanamine?
The IUPAC name of 2-dodecoxy-N-methylethanamine (CID 55187666) is 2-dodecoxy-N-methylethanamine.
What is the SMILES notation for 2-dodecoxy-N-methylethanamine?
The canonical SMILES for 2-dodecoxy-N-methylethanamine is CCCCCCCCCCCCOCCNC.
What is the InChIKey of 2-dodecoxy-N-methylethanamine?
The InChIKey is JOARDNHHAXFOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-2/h16H,3-15H2,1-2H3.
What are the key properties of 2-dodecoxy-N-methylethanamine?
2-dodecoxy-N-methylethanamine has a molecular weight of 243.43 g/mol, XLogP of 4.14, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecoxy-N-methylethanamine is sourced from PubChem (CID 55187666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).