4-[(3-methoxyoxolan-3-yl)methylamino]-2-methylbutan-2-ol

C11H23NO3 — CID 104760933

IUPAC4-[(3-methoxyoxolan-3-yl)methylamino]-2-methylbutan-2-ol
SMILESCOC1(CNCCC(C)(C)O)CCOC1
InChIInChI=1S/C11H23NO3/c1-10(2,13)4-6-12-8-11(14-3)5-7-15-9-11/h12-13H,4-9H2,1-3H3
InChIKeyHBRWZRLFALFXAP-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.54
Rot. Bonds6

About 4-[(3-methoxyoxolan-3-yl)methylamino]-2-methylbutan-2-ol

4-[(3-methoxyoxolan-3-yl)methylamino]-2-methylbutan-2-ol (PubChem CID 104760933) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-[(3-methoxyoxolan-3-yl)methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[(3-methoxyoxolan-3-yl)methylamino]-2-methylbutan-2-ol
PubChem CID104760933
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name4-[(3-methoxyoxolan-3-yl)methylamino]-2-methylbutan-2-ol
SMILESCOC1(CNCCC(C)(C)O)CCOC1
InChIInChI=1S/C11H23NO3/c1-10(2,13)4-6-12-8-11(14-3)5-7-15-9-11/h12-13H,4-9H2,1-3H3
InChIKeyHBRWZRLFALFXAP-UHFFFAOYSA-N
XLogP0.54
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(3-methoxyoxolan-3-yl)methylamino]-2-methylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methoxyoxolan-3-yl)methyl]decan-1-amine
CID 104760902
4-[(3-methoxyoxolan-3-yl)methylamino]butan-1-ol
CID 104760742
N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide
CID 104762088
N-[2-[(3-methoxyoxolan-3-yl)methylamino]ethyl]acetamide
CID 107529927
2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
CID 104760821
N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 104704975
N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104709004
N-[(3-methoxyoxolan-3-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 104760689
1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol
CID 104760822
(E)-N-[(3-methoxyoxolan-3-yl)methyl]but-2-en-1-amine
CID 107899239
N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutan-1-amine
CID 104705079
3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
CID 104761520

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyoxolan-3-yl)methylamino]-2-methylbutan-2-ol?
The IUPAC name of 4-[(3-methoxyoxolan-3-yl)methylamino]-2-methylbutan-2-ol (CID 104760933) is 4-[(3-methoxyoxolan-3-yl)methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[(3-methoxyoxolan-3-yl)methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[(3-methoxyoxolan-3-yl)methylamino]-2-methylbutan-2-ol is COC1(CNCCC(C)(C)O)CCOC1.
What is the InChIKey of 4-[(3-methoxyoxolan-3-yl)methylamino]-2-methylbutan-2-ol?
The InChIKey is HBRWZRLFALFXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-10(2,13)4-6-12-8-11(14-3)5-7-15-9-11/h12-13H,4-9H2,1-3H3.
What are the key properties of 4-[(3-methoxyoxolan-3-yl)methylamino]-2-methylbutan-2-ol?
4-[(3-methoxyoxolan-3-yl)methylamino]-2-methylbutan-2-ol has a molecular weight of 217.31 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyoxolan-3-yl)methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 104760933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).