3-[2-[3-(dimethylamino)propoxy]ethoxy]propan-1-amine

C10H24N2O2 — CID 15020098

IUPAC3-[2-[3-(dimethylamino)propoxy]ethoxy]propan-1-amine
SMILESCN(C)CCCOCCOCCCN
InChIInChI=1S/C10H24N2O2/c1-12(2)6-4-8-14-10-9-13-7-3-5-11/h3-11H2,1-2H3
InChIKeyHVLNBMUXRFZSFB-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.32
Rot. Bonds10

About 3-[2-[3-(dimethylamino)propoxy]ethoxy]propan-1-amine

3-[2-[3-(dimethylamino)propoxy]ethoxy]propan-1-amine (PubChem CID 15020098) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-[2-[3-(dimethylamino)propoxy]ethoxy]propan-1-amine.

Molecular Properties

Compound Name3-[2-[3-(dimethylamino)propoxy]ethoxy]propan-1-amine
PubChem CID15020098
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name3-[2-[3-(dimethylamino)propoxy]ethoxy]propan-1-amine
SMILESCN(C)CCCOCCOCCCN
InChIInChI=1S/C10H24N2O2/c1-12(2)6-4-8-14-10-9-13-7-3-5-11/h3-11H2,1-2H3
InChIKeyHVLNBMUXRFZSFB-UHFFFAOYSA-N
XLogP0.32
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-[2-[3-(dimethylamino)propoxy]ethoxy]propan-1-amine?
The IUPAC name of 3-[2-[3-(dimethylamino)propoxy]ethoxy]propan-1-amine (CID 15020098) is 3-[2-[3-(dimethylamino)propoxy]ethoxy]propan-1-amine.
What is the SMILES notation for 3-[2-[3-(dimethylamino)propoxy]ethoxy]propan-1-amine?
The canonical SMILES for 3-[2-[3-(dimethylamino)propoxy]ethoxy]propan-1-amine is CN(C)CCCOCCOCCCN.
What is the InChIKey of 3-[2-[3-(dimethylamino)propoxy]ethoxy]propan-1-amine?
The InChIKey is HVLNBMUXRFZSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-12(2)6-4-8-14-10-9-13-7-3-5-11/h3-11H2,1-2H3.
What are the key properties of 3-[2-[3-(dimethylamino)propoxy]ethoxy]propan-1-amine?
3-[2-[3-(dimethylamino)propoxy]ethoxy]propan-1-amine has a molecular weight of 204.31 g/mol, XLogP of 0.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(dimethylamino)propoxy]ethoxy]propan-1-amine is sourced from PubChem (CID 15020098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).