1-(dipropylamino)ethanol

C8H19NO — CID 18004289

IUPAC1-(dipropylamino)ethanol
SMILESCCCN(CCC)C(C)O
InChIInChI=1S/C8H19NO/c1-4-6-9(7-5-2)8(3)10/h8,10H,4-7H2,1-3H3
InChIKeyCOKMLVOGWBEPNX-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.45
Rot. Bonds5

About 1-(dipropylamino)ethanol

1-(dipropylamino)ethanol (PubChem CID 18004289) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 1-(dipropylamino)ethanol.

Molecular Properties

Compound Name1-(dipropylamino)ethanol
PubChem CID18004289
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name1-(dipropylamino)ethanol
SMILESCCCN(CCC)C(C)O
InChIInChI=1S/C8H19NO/c1-4-6-9(7-5-2)8(3)10/h8,10H,4-7H2,1-3H3
InChIKeyCOKMLVOGWBEPNX-UHFFFAOYSA-N
XLogP1.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(dipropylamino)ethanol?
The IUPAC name of 1-(dipropylamino)ethanol (CID 18004289) is 1-(dipropylamino)ethanol.
What is the SMILES notation for 1-(dipropylamino)ethanol?
The canonical SMILES for 1-(dipropylamino)ethanol is CCCN(CCC)C(C)O.
What is the InChIKey of 1-(dipropylamino)ethanol?
The InChIKey is COKMLVOGWBEPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-6-9(7-5-2)8(3)10/h8,10H,4-7H2,1-3H3.
What are the key properties of 1-(dipropylamino)ethanol?
1-(dipropylamino)ethanol has a molecular weight of 145.25 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dipropylamino)ethanol is sourced from PubChem (CID 18004289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).