1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol

C14H29NO2 — CID 79087658

IUPAC1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol
SMILESCCN(CC)CCC(O)CCCC1CCCO1
InChIInChI=1S/C14H29NO2/c1-3-15(4-2)11-10-13(16)7-5-8-14-9-6-12-17-14/h13-14,16H,3-12H2,1-2H3
InChIKeyWUHPGJRJSFOMLZ-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.43
Rot. Bonds9

About 1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol

1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol (PubChem CID 79087658) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol.

Molecular Properties

Compound Name1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol
PubChem CID79087658
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol
SMILESCCN(CC)CCC(O)CCCC1CCCO1
InChIInChI=1S/C14H29NO2/c1-3-15(4-2)11-10-13(16)7-5-8-14-9-6-12-17-14/h13-14,16H,3-12H2,1-2H3
InChIKeyWUHPGJRJSFOMLZ-UHFFFAOYSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-2-yl)octane-4,5-diol
CID 103454832
5-(oxolan-2-yl)-1-propan-2-ylsulfanylpentan-2-ol
CID 65167230
3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050
N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 65159083
1-cyclobutyl-4-(oxolan-2-yl)butan-1-ol
CID 65167122
5-(oxolan-2-yl)-2-propylpentan-1-ol
CID 66058975
3-[ethyl-[3-(oxolan-2-yl)propyl]amino]propanenitrile
CID 65161581
4-(diethylamino)-4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 79064624
1-(oxolan-2-yl)heptan-2-ol
CID 62606693
2-(5-chloro-4-methylheptyl)oxolane
CID 65165898
1-[1-(dimethylamino)cyclopentyl]-4-(oxolan-2-yl)butan-1-ol
CID 79067154
2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane
CID 54448834

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol?
The IUPAC name of 1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol (CID 79087658) is 1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol.
What is the SMILES notation for 1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol?
The canonical SMILES for 1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol is CCN(CC)CCC(O)CCCC1CCCO1.
What is the InChIKey of 1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol?
The InChIKey is WUHPGJRJSFOMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-15(4-2)11-10-13(16)7-5-8-14-9-6-12-17-14/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol?
1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol has a molecular weight of 243.39 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol is sourced from PubChem (CID 79087658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).