2-decoxy-N,N-dimethylethanamine

C14H31NO — CID 14389663

IUPAC2-decoxy-N,N-dimethylethanamine
SMILESCCCCCCCCCCOCCN(C)C
InChIInChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-13-16-14-12-15(2)3/h4-14H2,1-3H3
InChIKeyZMJBAJXDOXQVME-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.71
Rot. Bonds12

About 2-decoxy-N,N-dimethylethanamine

2-decoxy-N,N-dimethylethanamine (PubChem CID 14389663) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-decoxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-decoxy-N,N-dimethylethanamine
PubChem CID14389663
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2-decoxy-N,N-dimethylethanamine
SMILESCCCCCCCCCCOCCN(C)C
InChIInChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-13-16-14-12-15(2)3/h4-14H2,1-3H3
InChIKeyZMJBAJXDOXQVME-UHFFFAOYSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-decoxy-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Dodecyloxy)-N,N-dimethylethan-1-amine
CID 13668671
Laurylcholinchlorid
CID 22138573
Trimethyl(2-nonoxyethyl)azanium
CID 57136758
Palmitylcholinchlorid
CID 129639426
Palmitylcholin-bromid
CID 129655919
Methyl(2-octyloxyethyl)amine
CID 4249090
Laurylcholinjodid
CID 14550628
Octadecyl choline iodide
CID 44135879
Laurylcholin-bromid
CID 85934178
Palmitylcholine iodide
CID 129639439
Stearylcholinbromid
CID 129655390
3-[(Octyloxy)methyl]-1,3-oxazolidine
CID 164576930

Frequently Asked Questions

What is the IUPAC name of 2-decoxy-N,N-dimethylethanamine?
The IUPAC name of 2-decoxy-N,N-dimethylethanamine (CID 14389663) is 2-decoxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-decoxy-N,N-dimethylethanamine?
The canonical SMILES for 2-decoxy-N,N-dimethylethanamine is CCCCCCCCCCOCCN(C)C.
What is the InChIKey of 2-decoxy-N,N-dimethylethanamine?
The InChIKey is ZMJBAJXDOXQVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-13-16-14-12-15(2)3/h4-14H2,1-3H3.
What are the key properties of 2-decoxy-N,N-dimethylethanamine?
2-decoxy-N,N-dimethylethanamine has a molecular weight of 229.41 g/mol, XLogP of 3.71, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decoxy-N,N-dimethylethanamine is sourced from PubChem (CID 14389663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).