1-(diethylamino)butan-2-ol

C8H19NO — CID 4272082

IUPAC1-(diethylamino)butan-2-ol
SMILESCCC(O)CN(CC)CC
InChIInChI=1S/C8H19NO/c1-4-8(10)7-9(5-2)6-3/h8,10H,4-7H2,1-3H3
InChIKeyMYEXJQKKWOPGGE-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.10
Rot. Bonds5

About 1-(diethylamino)butan-2-ol

1-(diethylamino)butan-2-ol (PubChem CID 4272082) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 1-(diethylamino)butan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)butan-2-ol
PubChem CID4272082
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name1-(diethylamino)butan-2-ol
SMILESCCC(O)CN(CC)CC
InChIInChI=1S/C8H19NO/c1-4-8(10)7-9(5-2)6-3/h8,10H,4-7H2,1-3H3
InChIKeyMYEXJQKKWOPGGE-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)butan-2-ol?
The IUPAC name of 1-(diethylamino)butan-2-ol (CID 4272082) is 1-(diethylamino)butan-2-ol.
What is the SMILES notation for 1-(diethylamino)butan-2-ol?
The canonical SMILES for 1-(diethylamino)butan-2-ol is CCC(O)CN(CC)CC.
What is the InChIKey of 1-(diethylamino)butan-2-ol?
The InChIKey is MYEXJQKKWOPGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-8(10)7-9(5-2)6-3/h8,10H,4-7H2,1-3H3.
What are the key properties of 1-(diethylamino)butan-2-ol?
1-(diethylamino)butan-2-ol has a molecular weight of 145.25 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)butan-2-ol is sourced from PubChem (CID 4272082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).