(2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol

C10H19NO2 — CID 103924414

IUPAC(2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol
SMILESCC[C@H](CO)NCC1=CCCOC1
InChIInChI=1S/C10H19NO2/c1-2-10(7-12)11-6-9-4-3-5-13-8-9/h4,10-12H,2-3,5-8H2,1H3/t10-/m1/s1
InChIKeyNERMSVXJDAISQC-SNVBAGLBSA-N
MW185.27 g/mol
LogP0.69
Rot. Bonds5

About (2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol

(2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol (PubChem CID 103924414) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol
PubChem CID103924414
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol
SMILESCC[C@H](CO)NCC1=CCCOC1
InChIInChI=1S/C10H19NO2/c1-2-10(7-12)11-6-9-4-3-5-13-8-9/h4,10-12H,2-3,5-8H2,1H3/t10-/m1/s1
InChIKeyNERMSVXJDAISQC-SNVBAGLBSA-N
XLogP0.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.69
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

[(7E)-5-methyl-3,4,5,6,9,10-hexahydro-2H-1,4-oxazecin-8-yl]methanol
CID 68199929
(3-Butoxy-1,2,3,6-tetrahydropyridin-2-yl)methanol
CID 118146686
[5-(Methoxymethyl)-2-methyl-1,2-dihydropyridin-3-yl]methanol
CID 141952576
[(2S)-6-methoxy-4-methyl-1,2,3,6-tetrahydropyridin-2-yl]methanol
CID 163911940
N-(3-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine
CID 170083666
(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
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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol?
The IUPAC name of (2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol (CID 103924414) is (2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol.
What is the SMILES notation for (2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol?
The canonical SMILES for (2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol is CC[C@H](CO)NCC1=CCCOC1.
What is the InChIKey of (2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol?
The InChIKey is NERMSVXJDAISQC-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-10(7-12)11-6-9-4-3-5-13-8-9/h4,10-12H,2-3,5-8H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol?
(2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol has a molecular weight of 185.27 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol is sourced from PubChem (CID 103924414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).