1-[2-(dimethylamino)propyl-ethylamino]ethanol

C9H22N2O — CID 174917779

IUPAC1-[2-(dimethylamino)propyl-ethylamino]ethanol
SMILESCCN(CC(C)N(C)C)C(C)O
InChIInChI=1S/C9H22N2O/c1-6-11(9(3)12)7-8(2)10(4)5/h8-9,12H,6-7H2,1-5H3
InChIKeyMFEQUMGSLIEYAN-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.60
Rot. Bonds5

About 1-[2-(dimethylamino)propyl-ethylamino]ethanol

1-[2-(dimethylamino)propyl-ethylamino]ethanol (PubChem CID 174917779) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-[2-(dimethylamino)propyl-ethylamino]ethanol.

Molecular Properties

Compound Name1-[2-(dimethylamino)propyl-ethylamino]ethanol
PubChem CID174917779
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name1-[2-(dimethylamino)propyl-ethylamino]ethanol
SMILESCCN(CC(C)N(C)C)C(C)O
InChIInChI=1S/C9H22N2O/c1-6-11(9(3)12)7-8(2)10(4)5/h8-9,12H,6-7H2,1-5H3
InChIKeyMFEQUMGSLIEYAN-UHFFFAOYSA-N
XLogP0.60
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)propyl-ethylamino]ethanol?
The IUPAC name of 1-[2-(dimethylamino)propyl-ethylamino]ethanol (CID 174917779) is 1-[2-(dimethylamino)propyl-ethylamino]ethanol.
What is the SMILES notation for 1-[2-(dimethylamino)propyl-ethylamino]ethanol?
The canonical SMILES for 1-[2-(dimethylamino)propyl-ethylamino]ethanol is CCN(CC(C)N(C)C)C(C)O.
What is the InChIKey of 1-[2-(dimethylamino)propyl-ethylamino]ethanol?
The InChIKey is MFEQUMGSLIEYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-6-11(9(3)12)7-8(2)10(4)5/h8-9,12H,6-7H2,1-5H3.
What are the key properties of 1-[2-(dimethylamino)propyl-ethylamino]ethanol?
1-[2-(dimethylamino)propyl-ethylamino]ethanol has a molecular weight of 174.29 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)propyl-ethylamino]ethanol is sourced from PubChem (CID 174917779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).