3-methoxy-1-propan-2-yloxy-N-propylbutan-2-amine

C11H25NO2 — CID 79617443

IUPAC3-methoxy-1-propan-2-yloxy-N-propylbutan-2-amine
SMILESCCCNC(COC(C)C)C(C)OC
InChIInChI=1S/C11H25NO2/c1-6-7-12-11(10(4)13-5)8-14-9(2)3/h9-12H,6-8H2,1-5H3
InChIKeySOMNHDGWBCFERT-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.81
Rot. Bonds8

About 3-methoxy-1-propan-2-yloxy-N-propylbutan-2-amine

3-methoxy-1-propan-2-yloxy-N-propylbutan-2-amine (PubChem CID 79617443) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-methoxy-1-propan-2-yloxy-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-methoxy-1-propan-2-yloxy-N-propylbutan-2-amine
PubChem CID79617443
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name3-methoxy-1-propan-2-yloxy-N-propylbutan-2-amine
SMILESCCCNC(COC(C)C)C(C)OC
InChIInChI=1S/C11H25NO2/c1-6-7-12-11(10(4)13-5)8-14-9(2)3/h9-12H,6-8H2,1-5H3
InChIKeySOMNHDGWBCFERT-UHFFFAOYSA-N
XLogP1.81
TPSA30.49 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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-propan-2-yloxy-N-propylbutan-2-amine?
The IUPAC name of 3-methoxy-1-propan-2-yloxy-N-propylbutan-2-amine (CID 79617443) is 3-methoxy-1-propan-2-yloxy-N-propylbutan-2-amine.
What is the SMILES notation for 3-methoxy-1-propan-2-yloxy-N-propylbutan-2-amine?
The canonical SMILES for 3-methoxy-1-propan-2-yloxy-N-propylbutan-2-amine is CCCNC(COC(C)C)C(C)OC.
What is the InChIKey of 3-methoxy-1-propan-2-yloxy-N-propylbutan-2-amine?
The InChIKey is SOMNHDGWBCFERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-6-7-12-11(10(4)13-5)8-14-9(2)3/h9-12H,6-8H2,1-5H3.
What are the key properties of 3-methoxy-1-propan-2-yloxy-N-propylbutan-2-amine?
3-methoxy-1-propan-2-yloxy-N-propylbutan-2-amine has a molecular weight of 203.33 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-propan-2-yloxy-N-propylbutan-2-amine is sourced from PubChem (CID 79617443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).