2-methyl-3-(methylamino)butan-2-ol

C6H15NO — CID 20691718

IUPAC2-methyl-3-(methylamino)butan-2-ol
SMILESCNC(C)C(C)(C)O
InChIInChI=1S/C6H15NO/c1-5(7-4)6(2,3)8/h5,7-8H,1-4H3
InChIKeySOHFMOBBZSGBFW-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.37
Rot. Bonds2

About 2-methyl-3-(methylamino)butan-2-ol

2-methyl-3-(methylamino)butan-2-ol (PubChem CID 20691718) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-(methylamino)butan-2-ol
PubChem CID20691718
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name2-methyl-3-(methylamino)butan-2-ol
SMILESCNC(C)C(C)(C)O
InChIInChI=1S/C6H15NO/c1-5(7-4)6(2,3)8/h5,7-8H,1-4H3
InChIKeySOHFMOBBZSGBFW-UHFFFAOYSA-N
XLogP0.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)butan-2-ol?
The IUPAC name of 2-methyl-3-(methylamino)butan-2-ol (CID 20691718) is 2-methyl-3-(methylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-3-(methylamino)butan-2-ol?
The canonical SMILES for 2-methyl-3-(methylamino)butan-2-ol is CNC(C)C(C)(C)O.
What is the InChIKey of 2-methyl-3-(methylamino)butan-2-ol?
The InChIKey is SOHFMOBBZSGBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-5(7-4)6(2,3)8/h5,7-8H,1-4H3.
What are the key properties of 2-methyl-3-(methylamino)butan-2-ol?
2-methyl-3-(methylamino)butan-2-ol has a molecular weight of 117.19 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)butan-2-ol is sourced from PubChem (CID 20691718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).