4-[methyl(pentyl)amino]oxolan-3-ol

C10H21NO2 — CID 166879911

IUPAC4-[methyl(pentyl)amino]oxolan-3-ol
SMILESCCCCCN(C)C1COCC1O
InChIInChI=1S/C10H21NO2/c1-3-4-5-6-11(2)9-7-13-8-10(9)12/h9-10,12H,3-8H2,1-2H3
InChIKeyIXQMNRPNEODOHY-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.87
Rot. Bonds5

About 4-[methyl(pentyl)amino]oxolan-3-ol

4-[methyl(pentyl)amino]oxolan-3-ol (PubChem CID 166879911) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-[methyl(pentyl)amino]oxolan-3-ol.

Molecular Properties

Compound Name4-[methyl(pentyl)amino]oxolan-3-ol
PubChem CID166879911
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-[methyl(pentyl)amino]oxolan-3-ol
SMILESCCCCCN(C)C1COCC1O
InChIInChI=1S/C10H21NO2/c1-3-4-5-6-11(2)9-7-13-8-10(9)12/h9-10,12H,3-8H2,1-2H3
InChIKeyIXQMNRPNEODOHY-UHFFFAOYSA-N
XLogP0.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pentyl)amino]oxolan-3-ol?
The IUPAC name of 4-[methyl(pentyl)amino]oxolan-3-ol (CID 166879911) is 4-[methyl(pentyl)amino]oxolan-3-ol.
What is the SMILES notation for 4-[methyl(pentyl)amino]oxolan-3-ol?
The canonical SMILES for 4-[methyl(pentyl)amino]oxolan-3-ol is CCCCCN(C)C1COCC1O.
What is the InChIKey of 4-[methyl(pentyl)amino]oxolan-3-ol?
The InChIKey is IXQMNRPNEODOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-4-5-6-11(2)9-7-13-8-10(9)12/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 4-[methyl(pentyl)amino]oxolan-3-ol?
4-[methyl(pentyl)amino]oxolan-3-ol has a molecular weight of 187.28 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pentyl)amino]oxolan-3-ol is sourced from PubChem (CID 166879911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).