4-[[ethyl(methyl)amino]methyl]oxan-4-ol

C9H19NO2 — CID 115749552

IUPAC4-[[ethyl(methyl)amino]methyl]oxan-4-ol
SMILESCCN(C)CC1(O)CCOCC1
InChIInChI=1S/C9H19NO2/c1-3-10(2)8-9(11)4-6-12-7-5-9/h11H,3-8H2,1-2H3
InChIKeyQKIOCUBYWYSTMU-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.48
Rot. Bonds3

About 4-[[ethyl(methyl)amino]methyl]oxan-4-ol

4-[[ethyl(methyl)amino]methyl]oxan-4-ol (PubChem CID 115749552) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-[[ethyl(methyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[ethyl(methyl)amino]methyl]oxan-4-ol
PubChem CID115749552
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-[[ethyl(methyl)amino]methyl]oxan-4-ol
SMILESCCN(C)CC1(O)CCOCC1
InChIInChI=1S/C9H19NO2/c1-3-10(2)8-9(11)4-6-12-7-5-9/h11H,3-8H2,1-2H3
InChIKeyQKIOCUBYWYSTMU-UHFFFAOYSA-N
XLogP0.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-ol
CID 115749283
4-[[2-ethylsulfanylethyl(methyl)amino]methyl]oxan-4-ol
CID 114952749
4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol
CID 115750815
4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol
CID 114952439
4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol
CID 114953654
N-ethyl-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetamide
CID 115749275
4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746894
4-[[2,2-dimethoxyethyl(methyl)amino]methyl]oxan-4-ol
CID 114950482
4-[[5-hydroxypentyl(methyl)amino]methyl]oxan-4-ol
CID 114951905
4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol
CID 114952449
4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol
CID 114953922

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(methyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[ethyl(methyl)amino]methyl]oxan-4-ol (CID 115749552) is 4-[[ethyl(methyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[ethyl(methyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[ethyl(methyl)amino]methyl]oxan-4-ol is CCN(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[ethyl(methyl)amino]methyl]oxan-4-ol?
The InChIKey is QKIOCUBYWYSTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-10(2)8-9(11)4-6-12-7-5-9/h11H,3-8H2,1-2H3.
What are the key properties of 4-[[ethyl(methyl)amino]methyl]oxan-4-ol?
4-[[ethyl(methyl)amino]methyl]oxan-4-ol has a molecular weight of 173.26 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(methyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 115749552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).