3-(3-methoxybutoxy)-3-methylpentan-1-amine

C11H25NO2 — CID 89023925

IUPAC3-(3-methoxybutoxy)-3-methylpentan-1-amine
SMILESCCC(C)(CCN)OCCC(C)OC
InChIInChI=1S/C11H25NO2/c1-5-11(3,7-8-12)14-9-6-10(2)13-4/h10H,5-9,12H2,1-4H3
InChIKeyYIKIRGFQPOBPCE-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.95
Rot. Bonds8

About 3-(3-methoxybutoxy)-3-methylpentan-1-amine

3-(3-methoxybutoxy)-3-methylpentan-1-amine (PubChem CID 89023925) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-(3-methoxybutoxy)-3-methylpentan-1-amine.

Molecular Properties

Compound Name3-(3-methoxybutoxy)-3-methylpentan-1-amine
PubChem CID89023925
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name3-(3-methoxybutoxy)-3-methylpentan-1-amine
SMILESCCC(C)(CCN)OCCC(C)OC
InChIInChI=1S/C11H25NO2/c1-5-11(3,7-8-12)14-9-6-10(2)13-4/h10H,5-9,12H2,1-4H3
InChIKeyYIKIRGFQPOBPCE-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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-methoxybutoxy)-3-methylpentan-1-amine?
The IUPAC name of 3-(3-methoxybutoxy)-3-methylpentan-1-amine (CID 89023925) is 3-(3-methoxybutoxy)-3-methylpentan-1-amine.
What is the SMILES notation for 3-(3-methoxybutoxy)-3-methylpentan-1-amine?
The canonical SMILES for 3-(3-methoxybutoxy)-3-methylpentan-1-amine is CCC(C)(CCN)OCCC(C)OC.
What is the InChIKey of 3-(3-methoxybutoxy)-3-methylpentan-1-amine?
The InChIKey is YIKIRGFQPOBPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-5-11(3,7-8-12)14-9-6-10(2)13-4/h10H,5-9,12H2,1-4H3.
What are the key properties of 3-(3-methoxybutoxy)-3-methylpentan-1-amine?
3-(3-methoxybutoxy)-3-methylpentan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxybutoxy)-3-methylpentan-1-amine is sourced from PubChem (CID 89023925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).