4-[(3-methoxyoxolan-3-yl)methylamino]butan-1-ol

C10H21NO3 — CID 104760742

IUPAC4-[(3-methoxyoxolan-3-yl)methylamino]butan-1-ol
SMILESCOC1(CNCCCCO)CCOC1
InChIInChI=1S/C10H21NO3/c1-13-10(4-7-14-9-10)8-11-5-2-3-6-12/h11-12H,2-9H2,1H3
InChIKeySWCLJKSVQIYQKX-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.15
Rot. Bonds7

About 4-[(3-methoxyoxolan-3-yl)methylamino]butan-1-ol

4-[(3-methoxyoxolan-3-yl)methylamino]butan-1-ol (PubChem CID 104760742) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-[(3-methoxyoxolan-3-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name4-[(3-methoxyoxolan-3-yl)methylamino]butan-1-ol
PubChem CID104760742
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name4-[(3-methoxyoxolan-3-yl)methylamino]butan-1-ol
SMILESCOC1(CNCCCCO)CCOC1
InChIInChI=1S/C10H21NO3/c1-13-10(4-7-14-9-10)8-11-5-2-3-6-12/h11-12H,2-9H2,1H3
InChIKeySWCLJKSVQIYQKX-UHFFFAOYSA-N
XLogP0.15
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.15
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]butan-1-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]-2-methylbutan-2-ol
CID 104760933
N-[2-[(3-methoxyoxolan-3-yl)methylamino]ethyl]acetamide
CID 107529927
4-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104766199
2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
CID 104760821
N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide
CID 104762088
N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 104704975
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
N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 104760831

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyoxolan-3-yl)methylamino]butan-1-ol?
The IUPAC name of 4-[(3-methoxyoxolan-3-yl)methylamino]butan-1-ol (CID 104760742) is 4-[(3-methoxyoxolan-3-yl)methylamino]butan-1-ol.
What is the SMILES notation for 4-[(3-methoxyoxolan-3-yl)methylamino]butan-1-ol?
The canonical SMILES for 4-[(3-methoxyoxolan-3-yl)methylamino]butan-1-ol is COC1(CNCCCCO)CCOC1.
What is the InChIKey of 4-[(3-methoxyoxolan-3-yl)methylamino]butan-1-ol?
The InChIKey is SWCLJKSVQIYQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-13-10(4-7-14-9-10)8-11-5-2-3-6-12/h11-12H,2-9H2,1H3.
What are the key properties of 4-[(3-methoxyoxolan-3-yl)methylamino]butan-1-ol?
4-[(3-methoxyoxolan-3-yl)methylamino]butan-1-ol has a molecular weight of 203.28 g/mol, XLogP of 0.15, 7 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]butan-1-ol is sourced from PubChem (CID 104760742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).