N-methyl-2-octoxyethanamine

C11H25NO — CID 4249090

IUPACN-methyl-2-octoxyethanamine
SMILESCCCCCCCCOCCNC
InChIInChI=1S/C11H25NO/c1-3-4-5-6-7-8-10-13-11-9-12-2/h12H,3-11H2,1-2H3
InChIKeyLLUDOCUSCUKDAZ-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.58
Rot. Bonds10

About N-methyl-2-octoxyethanamine

N-methyl-2-octoxyethanamine (PubChem CID 4249090) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-methyl-2-octoxyethanamine.

Molecular Properties

Compound NameN-methyl-2-octoxyethanamine
PubChem CID4249090
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-methyl-2-octoxyethanamine
SMILESCCCCCCCCOCCNC
InChIInChI=1S/C11H25NO/c1-3-4-5-6-7-8-10-13-11-9-12-2/h12H,3-11H2,1-2H3
InChIKeyLLUDOCUSCUKDAZ-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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 N-methyl-2-octoxyethanamine?
The IUPAC name of N-methyl-2-octoxyethanamine (CID 4249090) is N-methyl-2-octoxyethanamine.
What is the SMILES notation for N-methyl-2-octoxyethanamine?
The canonical SMILES for N-methyl-2-octoxyethanamine is CCCCCCCCOCCNC.
What is the InChIKey of N-methyl-2-octoxyethanamine?
The InChIKey is LLUDOCUSCUKDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-3-4-5-6-7-8-10-13-11-9-12-2/h12H,3-11H2,1-2H3.
What are the key properties of N-methyl-2-octoxyethanamine?
N-methyl-2-octoxyethanamine has a molecular weight of 187.33 g/mol, XLogP of 2.58, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-octoxyethanamine is sourced from PubChem (CID 4249090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).