6-(1,4-dioxan-2-ylmethylamino)hexan-1-ol

C11H23NO3 — CID 107703242

IUPAC6-(1,4-dioxan-2-ylmethylamino)hexan-1-ol
SMILESOCCCCCCNCC1COCCO1
InChIInChI=1S/C11H23NO3/c13-6-4-2-1-3-5-12-9-11-10-14-7-8-15-11/h11-13H,1-10H2
InChIKeyHKAFYFKLCGMFCZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.54
Rot. Bonds8

About 6-(1,4-dioxan-2-ylmethylamino)hexan-1-ol

6-(1,4-dioxan-2-ylmethylamino)hexan-1-ol (PubChem CID 107703242) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 6-(1,4-dioxan-2-ylmethylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(1,4-dioxan-2-ylmethylamino)hexan-1-ol
PubChem CID107703242
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name6-(1,4-dioxan-2-ylmethylamino)hexan-1-ol
SMILESOCCCCCCNCC1COCCO1
InChIInChI=1S/C11H23NO3/c13-6-4-2-1-3-5-12-9-11-10-14-7-8-15-11/h11-13H,1-10H2
InChIKeyHKAFYFKLCGMFCZ-UHFFFAOYSA-N
XLogP0.54
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5S)-5-hexoxypiperidine-3,4-diol
CID 118725591
(3S,4R,5R)-5-hexoxypiperidine-3,4-diol
CID 51347034
(2R,3S,5R,6R)-5-fluoro-6-methyl-2-(methylaminomethyl)oxan-3-ol
CID 60076827
1,1,1-Trifluoro-3-(oxan-2-ylmethylamino)propan-2-ol
CID 63900239
1,1-Difluoro-3-(oxan-2-ylmethylamino)propan-2-ol
CID 105645480
2,2-Difluoro-3-(oxan-2-ylmethylamino)propan-1-ol
CID 106176520
1-Cyclohexyloxy-3-piperidin-1-ium-1-ylpropan-2-ol
CID 78589015
3-(Oxan-2-ylmethylamino)propan-1-ol
CID 13107960
2-(Oxan-2-ylmethylamino)ethanol
CID 13288219
3-(Oxan-2-ylmethylamino)propane-1,2-diol
CID 14747658
6-Piperidin-4-yloxyhexan-1-ol
CID 19994004
1-(4-Oxidomorpholin-4-ium-2-yl)nonan-1-ol
CID 21412685

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxan-2-ylmethylamino)hexan-1-ol?
The IUPAC name of 6-(1,4-dioxan-2-ylmethylamino)hexan-1-ol (CID 107703242) is 6-(1,4-dioxan-2-ylmethylamino)hexan-1-ol.
What is the SMILES notation for 6-(1,4-dioxan-2-ylmethylamino)hexan-1-ol?
The canonical SMILES for 6-(1,4-dioxan-2-ylmethylamino)hexan-1-ol is OCCCCCCNCC1COCCO1.
What is the InChIKey of 6-(1,4-dioxan-2-ylmethylamino)hexan-1-ol?
The InChIKey is HKAFYFKLCGMFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c13-6-4-2-1-3-5-12-9-11-10-14-7-8-15-11/h11-13H,1-10H2.
What are the key properties of 6-(1,4-dioxan-2-ylmethylamino)hexan-1-ol?
6-(1,4-dioxan-2-ylmethylamino)hexan-1-ol has a molecular weight of 217.31 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxan-2-ylmethylamino)hexan-1-ol is sourced from PubChem (CID 107703242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).