3-[(3,3-dimethylbutylamino)methyl]oxolan-3-ol

C11H23NO2 — CID 102672702

IUPAC3-[(3,3-dimethylbutylamino)methyl]oxolan-3-ol
SMILESCC(C)(C)CCNCC1(O)CCOC1
InChIInChI=1S/C11H23NO2/c1-10(2,3)4-6-12-8-11(13)5-7-14-9-11/h12-13H,4-9H2,1-3H3
InChIKeyJTNYMDXMSKJDMD-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.16
Rot. Bonds4

About 3-[(3,3-dimethylbutylamino)methyl]oxolan-3-ol

3-[(3,3-dimethylbutylamino)methyl]oxolan-3-ol (PubChem CID 102672702) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[(3,3-dimethylbutylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(3,3-dimethylbutylamino)methyl]oxolan-3-ol
PubChem CID102672702
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-[(3,3-dimethylbutylamino)methyl]oxolan-3-ol
SMILESCC(C)(C)CCNCC1(O)CCOC1
InChIInChI=1S/C11H23NO2/c1-10(2,3)4-6-12-8-11(13)5-7-14-9-11/h12-13H,4-9H2,1-3H3
InChIKeyJTNYMDXMSKJDMD-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-[(3,3-dimethylbutylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(3,3-dimethylbutylamino)methyl]oxolan-3-ol (CID 102672702) is 3-[(3,3-dimethylbutylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(3,3-dimethylbutylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(3,3-dimethylbutylamino)methyl]oxolan-3-ol is CC(C)(C)CCNCC1(O)CCOC1.
What is the InChIKey of 3-[(3,3-dimethylbutylamino)methyl]oxolan-3-ol?
The InChIKey is JTNYMDXMSKJDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(2,3)4-6-12-8-11(13)5-7-14-9-11/h12-13H,4-9H2,1-3H3.
What are the key properties of 3-[(3,3-dimethylbutylamino)methyl]oxolan-3-ol?
3-[(3,3-dimethylbutylamino)methyl]oxolan-3-ol has a molecular weight of 201.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylbutylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 102672702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).