3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine

C9H21NO2 — CID 103019869

IUPAC3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
SMILESCOCCNCCC(C)(C)OC
InChIInChI=1S/C9H21NO2/c1-9(2,12-4)5-6-10-7-8-11-3/h10H,5-8H2,1-4H3
InChIKeyIXQHDZOJTUSJTL-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.04
Rot. Bonds7

About 3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine

3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine (PubChem CID 103019869) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
PubChem CID103019869
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
SMILESCOCCNCCC(C)(C)OC
InChIInChI=1S/C9H21NO2/c1-9(2,12-4)5-6-10-7-8-11-3/h10H,5-8H2,1-4H3
InChIKeyIXQHDZOJTUSJTL-UHFFFAOYSA-N
XLogP1.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine
CID 106675103
N-(2-methoxyethyl)-N'-(2-methoxy-2-methylpropyl)ethane-1,2-diamine
CID 103019907
5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine
CID 103036807
1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine
CID 64681637
N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54806858
N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine
CID 103033107
3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine
CID 103033527
N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
CID 103033199
1,6-dimethoxy-6-methylheptane
CID 89190127
N-(3-methoxy-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine
CID 103020038
3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine
CID 103033177
N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine
CID 107319870

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine?
The IUPAC name of 3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine (CID 103019869) is 3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine.
What is the SMILES notation for 3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine?
The canonical SMILES for 3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine is COCCNCCC(C)(C)OC.
What is the InChIKey of 3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine?
The InChIKey is IXQHDZOJTUSJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-9(2,12-4)5-6-10-7-8-11-3/h10H,5-8H2,1-4H3.
What are the key properties of 3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine?
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine has a molecular weight of 175.27 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine is sourced from PubChem (CID 103019869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).