(2S)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-1-ol

C11H21NO2 — CID 103816346

IUPAC(2S)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCC1=CCCOC1
InChIInChI=1S/C11H21NO2/c1-9(2)11(7-13)12-6-10-4-3-5-14-8-10/h4,9,11-13H,3,5-8H2,1-2H3/t11-/m1/s1
InChIKeyQNSAHINSYGFVKR-LLVKDONJSA-N
MW199.29 g/mol
LogP0.94
Rot. Bonds5

About (2S)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-1-ol

(2S)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-1-ol (PubChem CID 103816346) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2S)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-1-ol
PubChem CID103816346
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2S)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCC1=CCCOC1
InChIInChI=1S/C11H21NO2/c1-9(2)11(7-13)12-6-10-4-3-5-14-8-10/h4,9,11-13H,3,5-8H2,1-2H3/t11-/m1/s1
InChIKeyQNSAHINSYGFVKR-LLVKDONJSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[(1R)-1-(2,5-dihydrofuran-3-yl)-2-methylpropyl]amino]-2-methylpropan-1-ol
CID 169667822
(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
2-[3,6-dihydro-2H-pyran-5-ylmethyl(methyl)amino]-3,3-dimethylbutan-1-ol
CID 109936107
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
1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3,3-dimethylbutan-2-ol
CID 112353628
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-ethylbutan-1-ol
CID 112353639
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-methylpentan-1-ol
CID 112353645

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-1-ol (CID 103816346) is (2S)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-1-ol is CC(C)[C@@H](CO)NCC1=CCCOC1.
What is the InChIKey of (2S)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-1-ol?
The InChIKey is QNSAHINSYGFVKR-LLVKDONJSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)11(7-13)12-6-10-4-3-5-14-8-10/h4,9,11-13H,3,5-8H2,1-2H3/t11-/m1/s1.
What are the key properties of (2S)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-1-ol?
(2S)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-1-ol has a molecular weight of 199.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 103816346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).