1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-2-ol

C11H21NO2 — CID 65103077

IUPAC1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCC1CCC=CO1
InChIInChI=1S/C11H21NO2/c1-3-11(2,13)9-12-8-10-6-4-5-7-14-10/h5,7,10,12-13H,3-4,6,8-9H2,1-2H3
InChIKeyLOADXLVTNJBANT-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.43
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-2-ol

1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-2-ol (PubChem CID 65103077) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-2-ol
PubChem CID65103077
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCC1CCC=CO1
InChIInChI=1S/C11H21NO2/c1-3-11(2,13)9-12-8-10-6-4-5-7-14-10/h5,7,10,12-13H,3-4,6,8-9H2,1-2H3
InChIKeyLOADXLVTNJBANT-UHFFFAOYSA-N
XLogP1.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-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

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-2-ol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-2-ol (CID 65103077) is 1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-2-ol is CCC(C)(O)CNCC1CCC=CO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-2-ol?
The InChIKey is LOADXLVTNJBANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-11(2,13)9-12-8-10-6-4-5-7-14-10/h5,7,10,12-13H,3-4,6,8-9H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-2-ol?
1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-2-ol has a molecular weight of 199.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 65103077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).