3-(dimethylamino)-4-(oxan-2-yloxy)butan-1-ol

C11H23NO3 — CID 121005916

IUPAC3-(dimethylamino)-4-(oxan-2-yloxy)butan-1-ol
SMILESCN(C)C(CCO)COC1CCCCO1
InChIInChI=1S/C11H23NO3/c1-12(2)10(6-7-13)9-15-11-5-3-4-8-14-11/h10-11,13H,3-9H2,1-2H3
InChIKeyOERQRQWUQSQFKH-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.84
Rot. Bonds6

About 3-(dimethylamino)-4-(oxan-2-yloxy)butan-1-ol

3-(dimethylamino)-4-(oxan-2-yloxy)butan-1-ol (PubChem CID 121005916) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-(dimethylamino)-4-(oxan-2-yloxy)butan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-4-(oxan-2-yloxy)butan-1-ol
PubChem CID121005916
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-(dimethylamino)-4-(oxan-2-yloxy)butan-1-ol
SMILESCN(C)C(CCO)COC1CCCCO1
InChIInChI=1S/C11H23NO3/c1-12(2)10(6-7-13)9-15-11-5-3-4-8-14-11/h10-11,13H,3-9H2,1-2H3
InChIKeyOERQRQWUQSQFKH-UHFFFAOYSA-N
XLogP0.84
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol
CID 85158047
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
2-(2-propylpentoxy)oxane
CID 175998246
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
2-[2-hydroxyethyl(methyl)amino]ethanol;2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]ethanol
CID 68855298
2-[(2R)-2-methylpentoxy]oxane
CID 57327472
2-[(2R)-4-iodo-2-methylbutoxy]oxane
CID 11779415
4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine
CID 159084006
2-(2,3,3-trimethylbutoxy)oxane
CID 145356481
(3S)-8-(oxan-2-yloxy)octane-1,3-diol
CID 11831727
3-[methyl-[2-[(2S)-oxan-2-yl]oxyethyl]amino]propan-1-ol
CID 146469318
(4R)-4-methyl-5-(oxan-2-yloxy)pent-2-yn-1-ol
CID 130694780

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-(oxan-2-yloxy)butan-1-ol?
The IUPAC name of 3-(dimethylamino)-4-(oxan-2-yloxy)butan-1-ol (CID 121005916) is 3-(dimethylamino)-4-(oxan-2-yloxy)butan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-4-(oxan-2-yloxy)butan-1-ol?
The canonical SMILES for 3-(dimethylamino)-4-(oxan-2-yloxy)butan-1-ol is CN(C)C(CCO)COC1CCCCO1.
What is the InChIKey of 3-(dimethylamino)-4-(oxan-2-yloxy)butan-1-ol?
The InChIKey is OERQRQWUQSQFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-12(2)10(6-7-13)9-15-11-5-3-4-8-14-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 3-(dimethylamino)-4-(oxan-2-yloxy)butan-1-ol?
3-(dimethylamino)-4-(oxan-2-yloxy)butan-1-ol has a molecular weight of 217.31 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-(oxan-2-yloxy)butan-1-ol is sourced from PubChem (CID 121005916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).