5-[(2,6-dimethyloxan-4-yl)amino]pentan-2-ol

C12H25NO2 — CID 107267685

IUPAC5-[(2,6-dimethyloxan-4-yl)amino]pentan-2-ol
SMILESCC(O)CCCNC1CC(C)OC(C)C1
InChIInChI=1S/C12H25NO2/c1-9(14)5-4-6-13-12-7-10(2)15-11(3)8-12/h9-14H,4-8H2,1-3H3
InChIKeyDJEYELCQXPHWJW-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.69
Rot. Bonds5

About 5-[(2,6-dimethyloxan-4-yl)amino]pentan-2-ol

5-[(2,6-dimethyloxan-4-yl)amino]pentan-2-ol (PubChem CID 107267685) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 5-[(2,6-dimethyloxan-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(2,6-dimethyloxan-4-yl)amino]pentan-2-ol
PubChem CID107267685
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name5-[(2,6-dimethyloxan-4-yl)amino]pentan-2-ol
SMILESCC(O)CCCNC1CC(C)OC(C)C1
InChIInChI=1S/C12H25NO2/c1-9(14)5-4-6-13-12-7-10(2)15-11(3)8-12/h9-14H,4-8H2,1-3H3
InChIKeyDJEYELCQXPHWJW-UHFFFAOYSA-N
XLogP1.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,6-dimethyloxan-4-yl)amino]butan-2-ol
CID 75525282
5-[(2,6-dimethyloxan-4-yl)amino]pentanamide
CID 106234819
5-[(2,6-dimethyloxan-4-yl)amino]pentanenitrile
CID 115906976
5-[(4-propan-2-ylcyclohexyl)amino]pentan-2-ol
CID 107267674
(2R)-4-[[(3S,5S)-3,5-dimethylcyclohexyl]amino]butan-2-ol
CID 96784232
5-[(4-methylcycloheptyl)amino]pentan-2-ol
CID 106121910
5-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 107270322
2,6-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]oxan-4-amine
CID 115908663
5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol
CID 107270410
5-[(3-aminocyclohexyl)amino]pentan-2-ol
CID 106121477
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pentan-2-ol
CID 107270318
N-(3,3-dimethylbutyl)-2,6-dimethyloxan-4-amine
CID 115904659

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethyloxan-4-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(2,6-dimethyloxan-4-yl)amino]pentan-2-ol (CID 107267685) is 5-[(2,6-dimethyloxan-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(2,6-dimethyloxan-4-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(2,6-dimethyloxan-4-yl)amino]pentan-2-ol is CC(O)CCCNC1CC(C)OC(C)C1.
What is the InChIKey of 5-[(2,6-dimethyloxan-4-yl)amino]pentan-2-ol?
The InChIKey is DJEYELCQXPHWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(14)5-4-6-13-12-7-10(2)15-11(3)8-12/h9-14H,4-8H2,1-3H3.
What are the key properties of 5-[(2,6-dimethyloxan-4-yl)amino]pentan-2-ol?
5-[(2,6-dimethyloxan-4-yl)amino]pentan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethyloxan-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 107267685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).