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

C10H19NO2 — CID 103854812

IUPAC(3R)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol
SMILESC[C@H](CCO)NCC1=CCCOC1
InChIInChI=1S/C10H19NO2/c1-9(4-5-12)11-7-10-3-2-6-13-8-10/h3,9,11-12H,2,4-8H2,1H3/t9-/m1/s1
InChIKeyKFLWTRLLRCICHL-SECBINFHSA-N
MW185.27 g/mol
LogP0.69
Rot. Bonds5

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

(3R)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol (PubChem CID 103854812) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3R)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name(3R)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol
PubChem CID103854812
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3R)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol
SMILESC[C@H](CCO)NCC1=CCCOC1
InChIInChI=1S/C10H19NO2/c1-9(4-5-12)11-7-10-3-2-6-13-8-10/h3,9,11-12H,2,4-8H2,1H3/t9-/m1/s1
InChIKeyKFLWTRLLRCICHL-SECBINFHSA-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'}

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

Related Compounds

[5-(Methoxymethyl)-2-methyl-1,2-dihydropyridin-3-yl]methanol
CID 141952576
Methyl 2-(2-hydroxyethyl)-1,2,3,6-tetrahydropyridine-5-carboximidate
CID 164015337
1-[[(1R)-1-(2,5-dihydrofuran-3-yl)-2-methylpropyl]amino]-2-methylpropan-1-ol
CID 169667822
(2S)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-1-ol
CID 103816346
(2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol
CID 103924414
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-4-methylpentan-1-ol
CID 112353570
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
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-4-methylsulfanylbutan-1-ol
CID 112353687
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-4-methylpentan-1-ol
CID 112353718
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-4-methoxy-3-methylbutan-1-ol
CID 112353746
3-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]pentan-1-ol
CID 112353757

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol?
The IUPAC name of (3R)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol (CID 103854812) is (3R)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol.
What is the SMILES notation for (3R)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol?
The canonical SMILES for (3R)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol is C[C@H](CCO)NCC1=CCCOC1.
What is the InChIKey of (3R)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol?
The InChIKey is KFLWTRLLRCICHL-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(4-5-12)11-7-10-3-2-6-13-8-10/h3,9,11-12H,2,4-8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol?
(3R)-3-(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 (3R)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)butan-1-ol is sourced from PubChem (CID 103854812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).