[3-(butylamino)-4,5-dimethyloxolan-2-yl]methanol

C11H23NO2 — CID 59097618

IUPAC[3-(butylamino)-4,5-dimethyloxolan-2-yl]methanol
SMILESCCCCNC1C(CO)OC(C)C1C
InChIInChI=1S/C11H23NO2/c1-4-5-6-12-11-8(2)9(3)14-10(11)7-13/h8-13H,4-7H2,1-3H3
InChIKeyRXRLUXSBHOIPMK-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.16
Rot. Bonds5

About [3-(butylamino)-4,5-dimethyloxolan-2-yl]methanol

[3-(butylamino)-4,5-dimethyloxolan-2-yl]methanol (PubChem CID 59097618) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is [3-(butylamino)-4,5-dimethyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[3-(butylamino)-4,5-dimethyloxolan-2-yl]methanol
PubChem CID59097618
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name[3-(butylamino)-4,5-dimethyloxolan-2-yl]methanol
SMILESCCCCNC1C(CO)OC(C)C1C
InChIInChI=1S/C11H23NO2/c1-4-5-6-12-11-8(2)9(3)14-10(11)7-13/h8-13H,4-7H2,1-3H3
InChIKeyRXRLUXSBHOIPMK-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
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 [3-(butylamino)-4,5-dimethyloxolan-2-yl]methanol?
The IUPAC name of [3-(butylamino)-4,5-dimethyloxolan-2-yl]methanol (CID 59097618) is [3-(butylamino)-4,5-dimethyloxolan-2-yl]methanol.
What is the SMILES notation for [3-(butylamino)-4,5-dimethyloxolan-2-yl]methanol?
The canonical SMILES for [3-(butylamino)-4,5-dimethyloxolan-2-yl]methanol is CCCCNC1C(CO)OC(C)C1C.
What is the InChIKey of [3-(butylamino)-4,5-dimethyloxolan-2-yl]methanol?
The InChIKey is RXRLUXSBHOIPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-5-6-12-11-8(2)9(3)14-10(11)7-13/h8-13H,4-7H2,1-3H3.
What are the key properties of [3-(butylamino)-4,5-dimethyloxolan-2-yl]methanol?
[3-(butylamino)-4,5-dimethyloxolan-2-yl]methanol has a molecular weight of 201.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(butylamino)-4,5-dimethyloxolan-2-yl]methanol is sourced from PubChem (CID 59097618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).