2-[(tert-butylamino)methyl]-2-ethylbutan-1-ol

C11H25NO — CID 81411478

IUPAC2-[(tert-butylamino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNC(C)(C)C
InChIInChI=1S/C11H25NO/c1-6-11(7-2,9-13)8-12-10(3,4)5/h12-13H,6-9H2,1-5H3
InChIKeyDWYNUROHEGXQOQ-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.17
Rot. Bonds5

About 2-[(tert-butylamino)methyl]-2-ethylbutan-1-ol

2-[(tert-butylamino)methyl]-2-ethylbutan-1-ol (PubChem CID 81411478) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-2-ethylbutan-1-ol
PubChem CID81411478
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-[(tert-butylamino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNC(C)(C)C
InChIInChI=1S/C11H25NO/c1-6-11(7-2,9-13)8-12-10(3,4)5/h12-13H,6-9H2,1-5H3
InChIKeyDWYNUROHEGXQOQ-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(tert-butylamino)methyl]-2-ethylbutan-1-ol (CID 81411478) is 2-[(tert-butylamino)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(tert-butylamino)methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNC(C)(C)C.
What is the InChIKey of 2-[(tert-butylamino)methyl]-2-ethylbutan-1-ol?
The InChIKey is DWYNUROHEGXQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-11(7-2,9-13)8-12-10(3,4)5/h12-13H,6-9H2,1-5H3.
What are the key properties of 2-[(tert-butylamino)methyl]-2-ethylbutan-1-ol?
2-[(tert-butylamino)methyl]-2-ethylbutan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 81411478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).