2-propoxy-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

C12H25NO2 — CID 105008598

IUPAC2-propoxy-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCCCOCC(N)C1C(C)OC(C)C1C
InChIInChI=1S/C12H25NO2/c1-5-6-14-7-11(13)12-8(2)9(3)15-10(12)4/h8-12H,5-7,13H2,1-4H3
InChIKeyAKUYHHFLTMAESM-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.80
Rot. Bonds5

About 2-propoxy-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

2-propoxy-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (PubChem CID 105008598) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-propoxy-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-propoxy-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
PubChem CID105008598
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-propoxy-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCCCOCC(N)C1C(C)OC(C)C1C
InChIInChI=1S/C12H25NO2/c1-5-6-14-7-11(13)12-8(2)9(3)15-10(12)4/h8-12H,5-7,13H2,1-4H3
InChIKeyAKUYHHFLTMAESM-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 105008984
1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
CID 114982474
4-methoxy-4-methyl-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine
CID 103032411
2-(2-propyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 105003253
4-methoxy-2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
CID 105044706
3-cyclohexyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
CID 114193118
2-(4-methylphenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155888
1-(4,4-dimethylcyclohexyl)-2-propoxyethanamine
CID 79575349
3-(4-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
CID 115864775
2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155737
2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 105030155
1-(2-ethylcyclohexyl)-2-propoxyethanamine
CID 63862730

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The IUPAC name of 2-propoxy-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (CID 105008598) is 2-propoxy-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-propoxy-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-propoxy-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is CCCOCC(N)C1C(C)OC(C)C1C.
What is the InChIKey of 2-propoxy-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The InChIKey is AKUYHHFLTMAESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-6-14-7-11(13)12-8(2)9(3)15-10(12)4/h8-12H,5-7,13H2,1-4H3.
What are the key properties of 2-propoxy-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
2-propoxy-1-(2,4,5-trimethyloxolan-3-yl)ethanamine has a molecular weight of 215.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 105008598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).