1-[2-[2-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-2-amine

C12H28N2O2 — CID 178005080

IUPAC1-[2-[2-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-2-amine
SMILESCC(COCCOCC(C)N(C)C)N(C)C
InChIInChI=1S/C12H28N2O2/c1-11(13(3)4)9-15-7-8-16-10-12(2)14(5)6/h11-12H,7-10H2,1-6H3
InChIKeyPSAPJPVRSOXINA-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.92
Rot. Bonds9

About 1-[2-[2-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-2-amine

1-[2-[2-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-2-amine (PubChem CID 178005080) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-2-amine
PubChem CID178005080
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name1-[2-[2-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-2-amine
SMILESCC(COCCOCC(C)N(C)C)N(C)C
InChIInChI=1S/C12H28N2O2/c1-11(13(3)4)9-15-7-8-16-10-12(2)14(5)6/h11-12H,7-10H2,1-6H3
InChIKeyPSAPJPVRSOXINA-UHFFFAOYSA-N
XLogP0.92
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[2-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-2-amine?
The IUPAC name of 1-[2-[2-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-2-amine (CID 178005080) is 1-[2-[2-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 1-[2-[2-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-2-amine?
The canonical SMILES for 1-[2-[2-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-2-amine is CC(COCCOCC(C)N(C)C)N(C)C.
What is the InChIKey of 1-[2-[2-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-2-amine?
The InChIKey is PSAPJPVRSOXINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-11(13(3)4)9-15-7-8-16-10-12(2)14(5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 1-[2-[2-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-2-amine?
1-[2-[2-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-2-amine has a molecular weight of 232.37 g/mol, XLogP of 0.92, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 178005080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).