2,3,3-trimethyl-1-(methylamino)butan-2-ol

C8H19NO — CID 80559172

IUPAC2,3,3-trimethyl-1-(methylamino)butan-2-ol
SMILESCNCC(C)(O)C(C)(C)C
InChIInChI=1S/C8H19NO/c1-7(2,3)8(4,10)6-9-5/h9-10H,6H2,1-5H3
InChIKeyCFOHGRWRULHRCF-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.00
Rot. Bonds2

About 2,3,3-trimethyl-1-(methylamino)butan-2-ol

2,3,3-trimethyl-1-(methylamino)butan-2-ol (PubChem CID 80559172) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 2,3,3-trimethyl-1-(methylamino)butan-2-ol.

Molecular Properties

Compound Name2,3,3-trimethyl-1-(methylamino)butan-2-ol
PubChem CID80559172
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name2,3,3-trimethyl-1-(methylamino)butan-2-ol
SMILESCNCC(C)(O)C(C)(C)C
InChIInChI=1S/C8H19NO/c1-7(2,3)8(4,10)6-9-5/h9-10H,6H2,1-5H3
InChIKeyCFOHGRWRULHRCF-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,3,3-trimethyl-1-(methylamino)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-1-(methylamino)butan-2-ol?
The IUPAC name of 2,3,3-trimethyl-1-(methylamino)butan-2-ol (CID 80559172) is 2,3,3-trimethyl-1-(methylamino)butan-2-ol.
What is the SMILES notation for 2,3,3-trimethyl-1-(methylamino)butan-2-ol?
The canonical SMILES for 2,3,3-trimethyl-1-(methylamino)butan-2-ol is CNCC(C)(O)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-1-(methylamino)butan-2-ol?
The InChIKey is CFOHGRWRULHRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-7(2,3)8(4,10)6-9-5/h9-10H,6H2,1-5H3.
What are the key properties of 2,3,3-trimethyl-1-(methylamino)butan-2-ol?
2,3,3-trimethyl-1-(methylamino)butan-2-ol has a molecular weight of 145.25 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-1-(methylamino)butan-2-ol is sourced from PubChem (CID 80559172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).