2-[(2-methoxyethoxyamino)methyl]-2-methylbutan-1-ol

C9H21NO3 — CID 82711613

IUPAC2-[(2-methoxyethoxyamino)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNOCCOC
InChIInChI=1S/C9H21NO3/c1-4-9(2,8-11)7-10-13-6-5-12-3/h10-11H,4-8H2,1-3H3
InChIKeyUTHZBWVSEPISLB-UHFFFAOYSA-N
MW191.27 g/mol
LogP0.56
Rot. Bonds8

About 2-[(2-methoxyethoxyamino)methyl]-2-methylbutan-1-ol

2-[(2-methoxyethoxyamino)methyl]-2-methylbutan-1-ol (PubChem CID 82711613) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[(2-methoxyethoxyamino)methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-methoxyethoxyamino)methyl]-2-methylbutan-1-ol
PubChem CID82711613
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name2-[(2-methoxyethoxyamino)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNOCCOC
InChIInChI=1S/C9H21NO3/c1-4-9(2,8-11)7-10-13-6-5-12-3/h10-11H,4-8H2,1-3H3
InChIKeyUTHZBWVSEPISLB-UHFFFAOYSA-N
XLogP0.56
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-methoxyethoxy)ethylamino]methyl]-2-methylbutan-1-ol
CID 81418619
2-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-ol
CID 103415225
1-(2-methoxyethoxyamino)-2,3-dimethylbutan-2-ol
CID 114493478
2-[2-(2-methoxyethoxy)ethyl]-2-methylpentan-1-ol
CID 66025453
2-[2-[2-(hydroxymethyl)-2-methylbutoxy]ethoxymethyl]-2-methylbutan-1-ol;methane
CID 158118632
2-ethyl-2-methylpropane-1,3-diol;methanesulfonic acid
CID 71389262
3-(2-methoxyethoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64803416
2-[(2-but-3-enoxyethylamino)methyl]-2-methylbutan-1-ol
CID 106397096
2-methyl-2-[(5-methylhexylamino)methyl]butan-1-ol
CID 115324505
2-methoxy-N-(2-methoxyethoxy)ethanamine
CID 82723121
2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-propylbutan-1-amine
CID 104566584
2-[(3,5-dimethoxyanilino)methyl]-2-methylbutan-1-ol
CID 81412194

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyethoxyamino)methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[(2-methoxyethoxyamino)methyl]-2-methylbutan-1-ol (CID 82711613) is 2-[(2-methoxyethoxyamino)methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(2-methoxyethoxyamino)methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(2-methoxyethoxyamino)methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNOCCOC.
What is the InChIKey of 2-[(2-methoxyethoxyamino)methyl]-2-methylbutan-1-ol?
The InChIKey is UTHZBWVSEPISLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-4-9(2,8-11)7-10-13-6-5-12-3/h10-11H,4-8H2,1-3H3.
What are the key properties of 2-[(2-methoxyethoxyamino)methyl]-2-methylbutan-1-ol?
2-[(2-methoxyethoxyamino)methyl]-2-methylbutan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyethoxyamino)methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 82711613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).