1-(diethylamino)-3-(2-methylpropoxy)propan-2-ol

C11H25NO2 — CID 15622949

IUPAC1-(diethylamino)-3-(2-methylpropoxy)propan-2-ol
SMILESCCN(CC)CC(O)COCC(C)C
InChIInChI=1S/C11H25NO2/c1-5-12(6-2)7-11(13)9-14-8-10(3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyPBOKVKGJDOCXMV-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.36
Rot. Bonds8

About 1-(diethylamino)-3-(2-methylpropoxy)propan-2-ol

1-(diethylamino)-3-(2-methylpropoxy)propan-2-ol (PubChem CID 15622949) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(diethylamino)-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-(2-methylpropoxy)propan-2-ol
PubChem CID15622949
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name1-(diethylamino)-3-(2-methylpropoxy)propan-2-ol
SMILESCCN(CC)CC(O)COCC(C)C
InChIInChI=1S/C11H25NO2/c1-5-12(6-2)7-11(13)9-14-8-10(3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyPBOKVKGJDOCXMV-UHFFFAOYSA-N
XLogP1.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-(2-methylpropoxy)propan-2-ol (CID 15622949) is 1-(diethylamino)-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-(2-methylpropoxy)propan-2-ol is CCN(CC)CC(O)COCC(C)C.
What is the InChIKey of 1-(diethylamino)-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is PBOKVKGJDOCXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-5-12(6-2)7-11(13)9-14-8-10(3)4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 1-(diethylamino)-3-(2-methylpropoxy)propan-2-ol?
1-(diethylamino)-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 203.33 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 15622949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).