4-methoxy-4-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine

C12H25NO2 — CID 103031623

IUPAC4-methoxy-4-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine
SMILESCOC(C)(C)CCC(N)C1OCCC1C
InChIInChI=1S/C12H25NO2/c1-9-6-8-15-11(9)10(13)5-7-12(2,3)14-4/h9-11H,5-8,13H2,1-4H3
InChIKeyNSBNKEGVKWTBQK-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.94
Rot. Bonds5

About 4-methoxy-4-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine

4-methoxy-4-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine (PubChem CID 103031623) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine
PubChem CID103031623
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-methoxy-4-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine
SMILESCOC(C)(C)CCC(N)C1OCCC1C
InChIInChI=1S/C12H25NO2/c1-9-6-8-15-11(9)10(13)5-7-12(2,3)14-4/h9-11H,5-8,13H2,1-4H3
InChIKeyNSBNKEGVKWTBQK-UHFFFAOYSA-N
XLogP1.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine (CID 103031623) is 4-methoxy-4-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine is COC(C)(C)CCC(N)C1OCCC1C.
What is the InChIKey of 4-methoxy-4-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine?
The InChIKey is NSBNKEGVKWTBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9-6-8-15-11(9)10(13)5-7-12(2,3)14-4/h9-11H,5-8,13H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine?
4-methoxy-4-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine is sourced from PubChem (CID 103031623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).