3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-2-ol

C11H21NO2 — CID 115866645

IUPAC3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-2-ol
SMILESCC(O)C(C)(C)NCC1=CCCOC1
InChIInChI=1S/C11H21NO2/c1-9(13)11(2,3)12-7-10-5-4-6-14-8-10/h5,9,12-13H,4,6-8H2,1-3H3
InChIKeyORMHQEZJRXXHTG-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.08
Rot. Bonds4

About 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-2-ol

3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-2-ol (PubChem CID 115866645) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-2-ol
PubChem CID115866645
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-2-ol
SMILESCC(O)C(C)(C)NCC1=CCCOC1
InChIInChI=1S/C11H21NO2/c1-9(13)11(2,3)12-7-10-5-4-6-14-8-10/h5,9,12-13H,4,6-8H2,1-3H3
InChIKeyORMHQEZJRXXHTG-UHFFFAOYSA-N
XLogP1.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-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

3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 115741896
6-(3-Hydroxypropylamino)-6-methylcyclohexa-2,4-dien-1-ol
CID 69714727
(2S)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-1-ol
CID 103816346
(3R)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol
CID 103854812
(2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol
CID 103924414
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-propan-2-yloxyethanamine
CID 104588142
3-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]pentan-3-ol
CID 111778236
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-4-methylpentan-1-ol
CID 112353570
1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-(2-methylpropoxy)propan-2-ol
CID 112353576
1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-4-methylpentan-2-ol
CID 112353586
1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-ethylpentan-2-ol
CID 112353617
1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylpentan-2-ol
CID 112353626

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-2-ol?
The IUPAC name of 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-2-ol (CID 115866645) is 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-2-ol.
What is the SMILES notation for 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-2-ol?
The canonical SMILES for 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-2-ol is CC(O)C(C)(C)NCC1=CCCOC1.
What is the InChIKey of 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-2-ol?
The InChIKey is ORMHQEZJRXXHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(13)11(2,3)12-7-10-5-4-6-14-8-10/h5,9,12-13H,4,6-8H2,1-3H3.
What are the key properties of 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-2-ol?
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-2-ol has a molecular weight of 199.29 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-2-ol is sourced from PubChem (CID 115866645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).