3-[methyl-[2-[(2S)-oxan-2-yl]oxyethyl]amino]propan-1-ol

C11H23NO3 — CID 146469318

IUPAC3-[methyl-[2-[(2S)-oxan-2-yl]oxyethyl]amino]propan-1-ol
SMILESCN(CCCO)CCO[C@H]1CCCCO1
InChIInChI=1S/C11H23NO3/c1-12(6-4-8-13)7-10-15-11-5-2-3-9-14-11/h11,13H,2-10H2,1H3/t11-/m0/s1
InChIKeyCENRXSBFADKQCM-NSHDSACASA-N
MW217.31 g/mol
LogP0.84
Rot. Bonds7

About 3-[methyl-[2-[(2S)-oxan-2-yl]oxyethyl]amino]propan-1-ol

3-[methyl-[2-[(2S)-oxan-2-yl]oxyethyl]amino]propan-1-ol (PubChem CID 146469318) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[methyl-[2-[(2S)-oxan-2-yl]oxyethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[methyl-[2-[(2S)-oxan-2-yl]oxyethyl]amino]propan-1-ol
PubChem CID146469318
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-[methyl-[2-[(2S)-oxan-2-yl]oxyethyl]amino]propan-1-ol
SMILESCN(CCCO)CCO[C@H]1CCCCO1
InChIInChI=1S/C11H23NO3/c1-12(6-4-8-13)7-10-15-11-5-2-3-9-14-11/h11,13H,2-10H2,1H3/t11-/m0/s1
InChIKeyCENRXSBFADKQCM-NSHDSACASA-N
XLogP0.84
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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-[2-hydroxyethyl(methyl)amino]ethanol;2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]ethanol
CID 68855298
3-[cyclobutyl-[2-(oxan-2-yloxy)ethyl]amino]propan-1-ol
CID 102858494
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
N',2,2-trimethyl-N'-[2-(oxan-2-yloxy)ethyl]propane-1,3-diamine
CID 79652545
(5Z,14Z)-19-(oxan-2-yloxy)nonadeca-5,14-dien-1-ol
CID 153316547
2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 119058274
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873
N-methyl-2-(oxan-2-yloxy)-N-(piperidin-3-ylmethyl)ethanamine
CID 106636343
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-octacosoxyoxane
CID 11214102
2-methyl-6-(oxan-2-yloxy)hexan-2-ol
CID 10727469
2-[2-(oxan-2-yloxy)ethoxy]ethanol;2-(2-propoxyethoxy)oxane
CID 160999917

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-[(2S)-oxan-2-yl]oxyethyl]amino]propan-1-ol?
The IUPAC name of 3-[methyl-[2-[(2S)-oxan-2-yl]oxyethyl]amino]propan-1-ol (CID 146469318) is 3-[methyl-[2-[(2S)-oxan-2-yl]oxyethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[methyl-[2-[(2S)-oxan-2-yl]oxyethyl]amino]propan-1-ol?
The canonical SMILES for 3-[methyl-[2-[(2S)-oxan-2-yl]oxyethyl]amino]propan-1-ol is CN(CCCO)CCO[C@H]1CCCCO1.
What is the InChIKey of 3-[methyl-[2-[(2S)-oxan-2-yl]oxyethyl]amino]propan-1-ol?
The InChIKey is CENRXSBFADKQCM-NSHDSACASA-N. The full InChI is InChI=1S/C11H23NO3/c1-12(6-4-8-13)7-10-15-11-5-2-3-9-14-11/h11,13H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of 3-[methyl-[2-[(2S)-oxan-2-yl]oxyethyl]amino]propan-1-ol?
3-[methyl-[2-[(2S)-oxan-2-yl]oxyethyl]amino]propan-1-ol has a molecular weight of 217.31 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-[(2S)-oxan-2-yl]oxyethyl]amino]propan-1-ol is sourced from PubChem (CID 146469318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).