1-(dimethylamino)pentane-2,3-diol

C7H17NO2 — CID 22068075

IUPAC1-(dimethylamino)pentane-2,3-diol
SMILESCCC(O)C(O)CN(C)C
InChIInChI=1S/C7H17NO2/c1-4-6(9)7(10)5-8(2)3/h6-7,9-10H,4-5H2,1-3H3
InChIKeySXXUBGOOQWLVBS-UHFFFAOYSA-N
MW147.22 g/mol
LogP-0.32
Rot. Bonds4

About 1-(dimethylamino)pentane-2,3-diol

1-(dimethylamino)pentane-2,3-diol (PubChem CID 22068075) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-(dimethylamino)pentane-2,3-diol.

Molecular Properties

Compound Name1-(dimethylamino)pentane-2,3-diol
PubChem CID22068075
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name1-(dimethylamino)pentane-2,3-diol
SMILESCCC(O)C(O)CN(C)C
InChIInChI=1S/C7H17NO2/c1-4-6(9)7(10)5-8(2)3/h6-7,9-10H,4-5H2,1-3H3
InChIKeySXXUBGOOQWLVBS-UHFFFAOYSA-N
XLogP-0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)pentane-2,3-diol?
The IUPAC name of 1-(dimethylamino)pentane-2,3-diol (CID 22068075) is 1-(dimethylamino)pentane-2,3-diol.
What is the SMILES notation for 1-(dimethylamino)pentane-2,3-diol?
The canonical SMILES for 1-(dimethylamino)pentane-2,3-diol is CCC(O)C(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)pentane-2,3-diol?
The InChIKey is SXXUBGOOQWLVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-4-6(9)7(10)5-8(2)3/h6-7,9-10H,4-5H2,1-3H3.
What are the key properties of 1-(dimethylamino)pentane-2,3-diol?
1-(dimethylamino)pentane-2,3-diol has a molecular weight of 147.22 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)pentane-2,3-diol is sourced from PubChem (CID 22068075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).