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

C11H21NO2 — CID 79253986

IUPAC(2S)-2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCC1CCC=CO1
InChIInChI=1S/C11H21NO2/c1-9(2)11(8-13)12-7-10-5-3-4-6-14-10/h4,6,9-13H,3,5,7-8H2,1-2H3/t10?,11-/m1/s1
InChIKeyQXCQVKZRRPJHLY-RRKGBCIJSA-N
MW199.29 g/mol
LogP1.29
Rot. Bonds5

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

(2S)-2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-1-ol (PubChem CID 79253986) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2S)-2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-1-ol
PubChem CID79253986
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2S)-2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCC1CCC=CO1
InChIInChI=1S/C11H21NO2/c1-9(2)11(8-13)12-7-10-5-3-4-6-14-10/h4,6,9-13H,3,5,7-8H2,1-2H3/t10?,11-/m1/s1
InChIKeyQXCQVKZRRPJHLY-RRKGBCIJSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-1-ol (CID 79253986) is (2S)-2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-1-ol is CC(C)[C@@H](CO)NCC1CCC=CO1.
What is the InChIKey of (2S)-2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-1-ol?
The InChIKey is QXCQVKZRRPJHLY-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)11(8-13)12-7-10-5-3-4-6-14-10/h4,6,9-13H,3,5,7-8H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of (2S)-2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-1-ol?
(2S)-2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-1-ol has a molecular weight of 199.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 79253986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).