2-(dimethylamino)pentane-2,4-diol

C7H17NO2 — CID 57216279

IUPAC2-(dimethylamino)pentane-2,4-diol
SMILESCC(O)CC(C)(O)N(C)C
InChIInChI=1S/C7H17NO2/c1-6(9)5-7(2,10)8(3)4/h6,9-10H,5H2,1-4H3
InChIKeyBOYUGYGNPNHJJO-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.03
Rot. Bonds3

About 2-(dimethylamino)pentane-2,4-diol

2-(dimethylamino)pentane-2,4-diol (PubChem CID 57216279) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-(dimethylamino)pentane-2,4-diol.

Molecular Properties

Compound Name2-(dimethylamino)pentane-2,4-diol
PubChem CID57216279
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name2-(dimethylamino)pentane-2,4-diol
SMILESCC(O)CC(C)(O)N(C)C
InChIInChI=1S/C7H17NO2/c1-6(9)5-7(2,10)8(3)4/h6,9-10H,5H2,1-4H3
InChIKeyBOYUGYGNPNHJJO-UHFFFAOYSA-N
XLogP0.03
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(dimethylamino)pentane-2,4-diol 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-(dimethylamino)pentane-2,4-diol?
The IUPAC name of 2-(dimethylamino)pentane-2,4-diol (CID 57216279) is 2-(dimethylamino)pentane-2,4-diol.
What is the SMILES notation for 2-(dimethylamino)pentane-2,4-diol?
The canonical SMILES for 2-(dimethylamino)pentane-2,4-diol is CC(O)CC(C)(O)N(C)C.
What is the InChIKey of 2-(dimethylamino)pentane-2,4-diol?
The InChIKey is BOYUGYGNPNHJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-6(9)5-7(2,10)8(3)4/h6,9-10H,5H2,1-4H3.
What are the key properties of 2-(dimethylamino)pentane-2,4-diol?
2-(dimethylamino)pentane-2,4-diol has a molecular weight of 147.22 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)pentane-2,4-diol is sourced from PubChem (CID 57216279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).