1-(diethylamino)-3-[3-(diethylamino)-2-hydroxypropoxy]propan-2-ol

C14H32N2O3 — CID 559880

IUPAC1-(diethylamino)-3-[3-(diethylamino)-2-hydroxypropoxy]propan-2-ol
SMILESCCN(CC)CC(O)COCC(O)CN(CC)CC
InChIInChI=1S/C14H32N2O3/c1-5-15(6-2)9-13(17)11-19-12-14(18)10-16(7-3)8-4/h13-14,17-18H,5-12H2,1-4H3
InChIKeyWXMQLQRIQNICEZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP0.41
Rot. Bonds12

About 1-(diethylamino)-3-[3-(diethylamino)-2-hydroxypropoxy]propan-2-ol

1-(diethylamino)-3-[3-(diethylamino)-2-hydroxypropoxy]propan-2-ol (PubChem CID 559880) has the molecular formula C14H32N2O3 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(diethylamino)-3-[3-(diethylamino)-2-hydroxypropoxy]propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-[3-(diethylamino)-2-hydroxypropoxy]propan-2-ol
PubChem CID559880
Molecular FormulaC14H32N2O3
Molecular Weight276.42 g/mol
Exact Mass276.24
IUPAC Name1-(diethylamino)-3-[3-(diethylamino)-2-hydroxypropoxy]propan-2-ol
SMILESCCN(CC)CC(O)COCC(O)CN(CC)CC
InChIInChI=1S/C14H32N2O3/c1-5-15(6-2)9-13(17)11-19-12-14(18)10-16(7-3)8-4/h13-14,17-18H,5-12H2,1-4H3
InChIKeyWXMQLQRIQNICEZ-UHFFFAOYSA-N
XLogP0.41
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-[3-(diethylamino)-2-hydroxypropoxy]propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-[3-(diethylamino)-2-hydroxypropoxy]propan-2-ol (CID 559880) is 1-(diethylamino)-3-[3-(diethylamino)-2-hydroxypropoxy]propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-[3-(diethylamino)-2-hydroxypropoxy]propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-[3-(diethylamino)-2-hydroxypropoxy]propan-2-ol is CCN(CC)CC(O)COCC(O)CN(CC)CC.
What is the InChIKey of 1-(diethylamino)-3-[3-(diethylamino)-2-hydroxypropoxy]propan-2-ol?
The InChIKey is WXMQLQRIQNICEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O3/c1-5-15(6-2)9-13(17)11-19-12-14(18)10-16(7-3)8-4/h13-14,17-18H,5-12H2,1-4H3.
What are the key properties of 1-(diethylamino)-3-[3-(diethylamino)-2-hydroxypropoxy]propan-2-ol?
1-(diethylamino)-3-[3-(diethylamino)-2-hydroxypropoxy]propan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 0.41, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-[3-(diethylamino)-2-hydroxypropoxy]propan-2-ol is sourced from PubChem (CID 559880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).