3-methyl-3-(methylamino)butan-1-ol

C6H15NO — CID 54595948

IUPAC3-methyl-3-(methylamino)butan-1-ol
SMILESCNC(C)(C)CCO
InChIInChI=1S/C6H15NO/c1-6(2,7-3)4-5-8/h7-8H,4-5H2,1-3H3
InChIKeyVQOUDUVJUBAXKV-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.37
Rot. Bonds3

About 3-methyl-3-(methylamino)butan-1-ol

3-methyl-3-(methylamino)butan-1-ol (PubChem CID 54595948) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 3-methyl-3-(methylamino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(methylamino)butan-1-ol
PubChem CID54595948
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name3-methyl-3-(methylamino)butan-1-ol
SMILESCNC(C)(C)CCO
InChIInChI=1S/C6H15NO/c1-6(2,7-3)4-5-8/h7-8H,4-5H2,1-3H3
InChIKeyVQOUDUVJUBAXKV-UHFFFAOYSA-N
XLogP0.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 3-methyl-3-(methylamino)butan-1-ol?
The IUPAC name of 3-methyl-3-(methylamino)butan-1-ol (CID 54595948) is 3-methyl-3-(methylamino)butan-1-ol.
What is the SMILES notation for 3-methyl-3-(methylamino)butan-1-ol?
The canonical SMILES for 3-methyl-3-(methylamino)butan-1-ol is CNC(C)(C)CCO.
What is the InChIKey of 3-methyl-3-(methylamino)butan-1-ol?
The InChIKey is VQOUDUVJUBAXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-6(2,7-3)4-5-8/h7-8H,4-5H2,1-3H3.
What are the key properties of 3-methyl-3-(methylamino)butan-1-ol?
3-methyl-3-(methylamino)butan-1-ol has a molecular weight of 117.19 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(methylamino)butan-1-ol is sourced from PubChem (CID 54595948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).