5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4,4-dimethylpentan-1-ol

C13H25NO2 — CID 107095327

IUPAC5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCC1CCC=CO1
InChIInChI=1S/C13H25NO2/c1-13(2,7-5-8-15)11-14-10-12-6-3-4-9-16-12/h4,9,12,14-15H,3,5-8,10-11H2,1-2H3
InChIKeyJAZDVTRNFCEJEA-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.07
Rot. Bonds7

About 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4,4-dimethylpentan-1-ol

5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4,4-dimethylpentan-1-ol (PubChem CID 107095327) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4,4-dimethylpentan-1-ol
PubChem CID107095327
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCC1CCC=CO1
InChIInChI=1S/C13H25NO2/c1-13(2,7-5-8-15)11-14-10-12-6-3-4-9-16-12/h4,9,12,14-15H,3,5-8,10-11H2,1-2H3
InChIKeyJAZDVTRNFCEJEA-UHFFFAOYSA-N
XLogP2.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylbutan-1-amine
CID 105022122
5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol
CID 103897688
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720114
3-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine
CID 107094618
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol
CID 62066153
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-fluoro-2-methylpropanamide
CID 130783856
2-amino-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylpropanamide
CID 130964270
methyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanoate
CID 62065434
5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147208
(2S)-2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-1-ol
CID 79253986
5-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 106147124
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 62064917

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4,4-dimethylpentan-1-ol (CID 107095327) is 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNCC1CCC=CO1.
What is the InChIKey of 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is JAZDVTRNFCEJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2,7-5-8-15)11-14-10-12-6-3-4-9-16-12/h4,9,12,14-15H,3,5-8,10-11H2,1-2H3.
What are the key properties of 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4,4-dimethylpentan-1-ol?
5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 107095327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).