4-[ethyl(2-methylbutyl)amino]butan-2-ol

C11H25NO — CID 79482541

IUPAC4-[ethyl(2-methylbutyl)amino]butan-2-ol
SMILESCCC(C)CN(CC)CCC(C)O
InChIInChI=1S/C11H25NO/c1-5-10(3)9-12(6-2)8-7-11(4)13/h10-11,13H,5-9H2,1-4H3
InChIKeyZOFQXQWOUCRYBK-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.13
Rot. Bonds7

About 4-[ethyl(2-methylbutyl)amino]butan-2-ol

4-[ethyl(2-methylbutyl)amino]butan-2-ol (PubChem CID 79482541) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 4-[ethyl(2-methylbutyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[ethyl(2-methylbutyl)amino]butan-2-ol
PubChem CID79482541
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name4-[ethyl(2-methylbutyl)amino]butan-2-ol
SMILESCCC(C)CN(CC)CCC(C)O
InChIInChI=1S/C11H25NO/c1-5-10(3)9-12(6-2)8-7-11(4)13/h10-11,13H,5-9H2,1-4H3
InChIKeyZOFQXQWOUCRYBK-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methylbutyl)amino]butan-2-ol?
The IUPAC name of 4-[ethyl(2-methylbutyl)amino]butan-2-ol (CID 79482541) is 4-[ethyl(2-methylbutyl)amino]butan-2-ol.
What is the SMILES notation for 4-[ethyl(2-methylbutyl)amino]butan-2-ol?
The canonical SMILES for 4-[ethyl(2-methylbutyl)amino]butan-2-ol is CCC(C)CN(CC)CCC(C)O.
What is the InChIKey of 4-[ethyl(2-methylbutyl)amino]butan-2-ol?
The InChIKey is ZOFQXQWOUCRYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-10(3)9-12(6-2)8-7-11(4)13/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 4-[ethyl(2-methylbutyl)amino]butan-2-ol?
4-[ethyl(2-methylbutyl)amino]butan-2-ol has a molecular weight of 187.33 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methylbutyl)amino]butan-2-ol is sourced from PubChem (CID 79482541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).