3-(3-methoxy-3-methylbutoxy)-3-methylbutan-1-amine

C11H25NO2 — CID 87097786

IUPAC3-(3-methoxy-3-methylbutoxy)-3-methylbutan-1-amine
SMILESCOC(C)(C)CCOC(C)(C)CCN
InChIInChI=1S/C11H25NO2/c1-10(2,13-5)7-9-14-11(3,4)6-8-12/h6-9,12H2,1-5H3
InChIKeyMWZGHZZBUYAMPY-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.95
Rot. Bonds7

About 3-(3-methoxy-3-methylbutoxy)-3-methylbutan-1-amine

3-(3-methoxy-3-methylbutoxy)-3-methylbutan-1-amine (PubChem CID 87097786) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutoxy)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutoxy)-3-methylbutan-1-amine
PubChem CID87097786
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name3-(3-methoxy-3-methylbutoxy)-3-methylbutan-1-amine
SMILESCOC(C)(C)CCOC(C)(C)CCN
InChIInChI=1S/C11H25NO2/c1-10(2,13-5)7-9-14-11(3,4)6-8-12/h6-9,12H2,1-5H3
InChIKeyMWZGHZZBUYAMPY-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutoxy)-3-methylbutan-1-amine?
The IUPAC name of 3-(3-methoxy-3-methylbutoxy)-3-methylbutan-1-amine (CID 87097786) is 3-(3-methoxy-3-methylbutoxy)-3-methylbutan-1-amine.
What is the SMILES notation for 3-(3-methoxy-3-methylbutoxy)-3-methylbutan-1-amine?
The canonical SMILES for 3-(3-methoxy-3-methylbutoxy)-3-methylbutan-1-amine is COC(C)(C)CCOC(C)(C)CCN.
What is the InChIKey of 3-(3-methoxy-3-methylbutoxy)-3-methylbutan-1-amine?
The InChIKey is MWZGHZZBUYAMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-10(2,13-5)7-9-14-11(3,4)6-8-12/h6-9,12H2,1-5H3.
What are the key properties of 3-(3-methoxy-3-methylbutoxy)-3-methylbutan-1-amine?
3-(3-methoxy-3-methylbutoxy)-3-methylbutan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylbutoxy)-3-methylbutan-1-amine is sourced from PubChem (CID 87097786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).