1-(diethylamino)propane-1,2-diol

C7H17NO2 — CID 18182994

IUPAC1-(diethylamino)propane-1,2-diol
SMILESCCN(CC)C(O)C(C)O
InChIInChI=1S/C7H17NO2/c1-4-8(5-2)7(10)6(3)9/h6-7,9-10H,4-5H2,1-3H3
InChIKeyTXJYONBSFGLSSF-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.03
Rot. Bonds4

About 1-(diethylamino)propane-1,2-diol

1-(diethylamino)propane-1,2-diol (PubChem CID 18182994) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-(diethylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-(diethylamino)propane-1,2-diol
PubChem CID18182994
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name1-(diethylamino)propane-1,2-diol
SMILESCCN(CC)C(O)C(C)O
InChIInChI=1S/C7H17NO2/c1-4-8(5-2)7(10)6(3)9/h6-7,9-10H,4-5H2,1-3H3
InChIKeyTXJYONBSFGLSSF-UHFFFAOYSA-N
XLogP0.03
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.03
H-Bond Donors ≤ 52
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-(diethylamino)propane-1,2-diol?
The IUPAC name of 1-(diethylamino)propane-1,2-diol (CID 18182994) is 1-(diethylamino)propane-1,2-diol.
What is the SMILES notation for 1-(diethylamino)propane-1,2-diol?
The canonical SMILES for 1-(diethylamino)propane-1,2-diol is CCN(CC)C(O)C(C)O.
What is the InChIKey of 1-(diethylamino)propane-1,2-diol?
The InChIKey is TXJYONBSFGLSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-4-8(5-2)7(10)6(3)9/h6-7,9-10H,4-5H2,1-3H3.
What are the key properties of 1-(diethylamino)propane-1,2-diol?
1-(diethylamino)propane-1,2-diol has a molecular weight of 147.22 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)propane-1,2-diol is sourced from PubChem (CID 18182994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).