4-methyl-4-(methylamino)pentan-2-ol

C7H17NO — CID 23264434

IUPAC4-methyl-4-(methylamino)pentan-2-ol
SMILESCNC(C)(C)CC(C)O
InChIInChI=1S/C7H17NO/c1-6(9)5-7(2,3)8-4/h6,8-9H,5H2,1-4H3
InChIKeyAGKLIXYBSDVGRD-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.76
Rot. Bonds3

About 4-methyl-4-(methylamino)pentan-2-ol

4-methyl-4-(methylamino)pentan-2-ol (PubChem CID 23264434) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 4-methyl-4-(methylamino)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-4-(methylamino)pentan-2-ol
PubChem CID23264434
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name4-methyl-4-(methylamino)pentan-2-ol
SMILESCNC(C)(C)CC(C)O
InChIInChI=1S/C7H17NO/c1-6(9)5-7(2,3)8-4/h6,8-9H,5H2,1-4H3
InChIKeyAGKLIXYBSDVGRD-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(methylamino)pentan-2-ol?
The IUPAC name of 4-methyl-4-(methylamino)pentan-2-ol (CID 23264434) is 4-methyl-4-(methylamino)pentan-2-ol.
What is the SMILES notation for 4-methyl-4-(methylamino)pentan-2-ol?
The canonical SMILES for 4-methyl-4-(methylamino)pentan-2-ol is CNC(C)(C)CC(C)O.
What is the InChIKey of 4-methyl-4-(methylamino)pentan-2-ol?
The InChIKey is AGKLIXYBSDVGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-6(9)5-7(2,3)8-4/h6,8-9H,5H2,1-4H3.
What are the key properties of 4-methyl-4-(methylamino)pentan-2-ol?
4-methyl-4-(methylamino)pentan-2-ol has a molecular weight of 131.22 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(methylamino)pentan-2-ol is sourced from PubChem (CID 23264434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).