4-methoxy-2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine

C13H27NO2 — CID 105044706

IUPAC4-methoxy-2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
SMILESCOCCC(C)C(N)C1C(C)OC(C)C1C
InChIInChI=1S/C13H27NO2/c1-8(6-7-15-5)13(14)12-9(2)10(3)16-11(12)4/h8-13H,6-7,14H2,1-5H3
InChIKeyGGQCNSMYIMEJFG-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.05
Rot. Bonds5

About 4-methoxy-2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine

4-methoxy-2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine (PubChem CID 105044706) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
PubChem CID105044706
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-methoxy-2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
SMILESCOCCC(C)C(N)C1C(C)OC(C)C1C
InChIInChI=1S/C13H27NO2/c1-8(6-7-15-5)13(14)12-9(2)10(3)16-11(12)4/h8-13H,6-7,14H2,1-5H3
InChIKeyGGQCNSMYIMEJFG-UHFFFAOYSA-N
XLogP2.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
The IUPAC name of 4-methoxy-2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine (CID 105044706) is 4-methoxy-2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine.
What is the SMILES notation for 4-methoxy-2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
The canonical SMILES for 4-methoxy-2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine is COCCC(C)C(N)C1C(C)OC(C)C1C.
What is the InChIKey of 4-methoxy-2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
The InChIKey is GGQCNSMYIMEJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-8(6-7-15-5)13(14)12-9(2)10(3)16-11(12)4/h8-13H,6-7,14H2,1-5H3.
What are the key properties of 4-methoxy-2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
4-methoxy-2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine is sourced from PubChem (CID 105044706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).