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

C8H19NO2 — CID 141326424

IUPAC1-(dimethylamino)-2-methylpentane-3,3-diol
SMILESCCC(O)(O)C(C)CN(C)C
InChIInChI=1S/C8H19NO2/c1-5-8(10,11)7(2)6-9(3)4/h7,10-11H,5-6H2,1-4H3
InChIKeyVRHBEHYDSMXKTC-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.28
Rot. Bonds4

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

1-(dimethylamino)-2-methylpentane-3,3-diol (PubChem CID 141326424) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methylpentane-3,3-diol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methylpentane-3,3-diol
PubChem CID141326424
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name1-(dimethylamino)-2-methylpentane-3,3-diol
SMILESCCC(O)(O)C(C)CN(C)C
InChIInChI=1S/C8H19NO2/c1-5-8(10,11)7(2)6-9(3)4/h7,10-11H,5-6H2,1-4H3
InChIKeyVRHBEHYDSMXKTC-UHFFFAOYSA-N
XLogP0.28
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methylpentane-3,3-diol?
The IUPAC name of 1-(dimethylamino)-2-methylpentane-3,3-diol (CID 141326424) is 1-(dimethylamino)-2-methylpentane-3,3-diol.
What is the SMILES notation for 1-(dimethylamino)-2-methylpentane-3,3-diol?
The canonical SMILES for 1-(dimethylamino)-2-methylpentane-3,3-diol is CCC(O)(O)C(C)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-2-methylpentane-3,3-diol?
The InChIKey is VRHBEHYDSMXKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-5-8(10,11)7(2)6-9(3)4/h7,10-11H,5-6H2,1-4H3.
What are the key properties of 1-(dimethylamino)-2-methylpentane-3,3-diol?
1-(dimethylamino)-2-methylpentane-3,3-diol has a molecular weight of 161.25 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methylpentane-3,3-diol is sourced from PubChem (CID 141326424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).