4-(methylamino)pentan-2-ol

C6H15NO — CID 5252148

IUPAC4-(methylamino)pentan-2-ol
SMILESCNC(C)CC(C)O
InChIInChI=1S/C6H15NO/c1-5(7-3)4-6(2)8/h5-8H,4H2,1-3H3
InChIKeyGJXMSASDQMEPIH-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.37
Rot. Bonds3

About 4-(methylamino)pentan-2-ol

4-(methylamino)pentan-2-ol (PubChem CID 5252148) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 4-(methylamino)pentan-2-ol.

Molecular Properties

Compound Name4-(methylamino)pentan-2-ol
PubChem CID5252148
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name4-(methylamino)pentan-2-ol
SMILESCNC(C)CC(C)O
InChIInChI=1S/C6H15NO/c1-5(7-3)4-6(2)8/h5-8H,4H2,1-3H3
InChIKeyGJXMSASDQMEPIH-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 4-(methylamino)pentan-2-ol?
The IUPAC name of 4-(methylamino)pentan-2-ol (CID 5252148) is 4-(methylamino)pentan-2-ol.
What is the SMILES notation for 4-(methylamino)pentan-2-ol?
The canonical SMILES for 4-(methylamino)pentan-2-ol is CNC(C)CC(C)O.
What is the InChIKey of 4-(methylamino)pentan-2-ol?
The InChIKey is GJXMSASDQMEPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-5(7-3)4-6(2)8/h5-8H,4H2,1-3H3.
What are the key properties of 4-(methylamino)pentan-2-ol?
4-(methylamino)pentan-2-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 4-(methylamino)pentan-2-ol is sourced from PubChem (CID 5252148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).