3-[1-[3-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-1-amine

C12H28N2O2 — CID 59102868

IUPAC3-[1-[3-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-1-amine
SMILESCC(OCCCN(C)C)OCCCN(C)C
InChIInChI=1S/C12H28N2O2/c1-12(15-10-6-8-13(2)3)16-11-7-9-14(4)5/h12H,6-11H2,1-5H3
InChIKeyHQCGWDVQRZOVOB-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.27
Rot. Bonds10

About 3-[1-[3-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-1-amine

3-[1-[3-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-1-amine (PubChem CID 59102868) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[1-[3-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-1-amine
PubChem CID59102868
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name3-[1-[3-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-1-amine
SMILESCC(OCCCN(C)C)OCCCN(C)C
InChIInChI=1S/C12H28N2O2/c1-12(15-10-6-8-13(2)3)16-11-7-9-14(4)5/h12H,6-11H2,1-5H3
InChIKeyHQCGWDVQRZOVOB-UHFFFAOYSA-N
XLogP1.27
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[1-[3-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-1-amine (CID 59102868) is 3-[1-[3-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[1-[3-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[1-[3-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-1-amine is CC(OCCCN(C)C)OCCCN(C)C.
What is the InChIKey of 3-[1-[3-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is HQCGWDVQRZOVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-12(15-10-6-8-13(2)3)16-11-7-9-14(4)5/h12H,6-11H2,1-5H3.
What are the key properties of 3-[1-[3-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-1-amine?
3-[1-[3-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 1.27, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(dimethylamino)propoxy]ethoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 59102868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).