1-(2,4,5-trimethyloxolan-3-yl)hex-5-en-1-amine

C13H25NO — CID 104987106

IUPAC1-(2,4,5-trimethyloxolan-3-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1C(C)OC(C)C1C
InChIInChI=1S/C13H25NO/c1-5-6-7-8-12(14)13-9(2)10(3)15-11(13)4/h5,9-13H,1,6-8,14H2,2-4H3
InChIKeyYYSRCUIGAAQJHS-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.73
Rot. Bonds5

About 1-(2,4,5-trimethyloxolan-3-yl)hex-5-en-1-amine

1-(2,4,5-trimethyloxolan-3-yl)hex-5-en-1-amine (PubChem CID 104987106) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(2,4,5-trimethyloxolan-3-yl)hex-5-en-1-amine.

Molecular Properties

Compound Name1-(2,4,5-trimethyloxolan-3-yl)hex-5-en-1-amine
PubChem CID104987106
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(2,4,5-trimethyloxolan-3-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1C(C)OC(C)C1C
InChIInChI=1S/C13H25NO/c1-5-6-7-8-12(14)13-9(2)10(3)15-11(13)4/h5,9-13H,1,6-8,14H2,2-4H3
InChIKeyYYSRCUIGAAQJHS-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trimethyloxolan-3-yl)hex-5-en-1-amine?
The IUPAC name of 1-(2,4,5-trimethyloxolan-3-yl)hex-5-en-1-amine (CID 104987106) is 1-(2,4,5-trimethyloxolan-3-yl)hex-5-en-1-amine.
What is the SMILES notation for 1-(2,4,5-trimethyloxolan-3-yl)hex-5-en-1-amine?
The canonical SMILES for 1-(2,4,5-trimethyloxolan-3-yl)hex-5-en-1-amine is C=CCCCC(N)C1C(C)OC(C)C1C.
What is the InChIKey of 1-(2,4,5-trimethyloxolan-3-yl)hex-5-en-1-amine?
The InChIKey is YYSRCUIGAAQJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-6-7-8-12(14)13-9(2)10(3)15-11(13)4/h5,9-13H,1,6-8,14H2,2-4H3.
What are the key properties of 1-(2,4,5-trimethyloxolan-3-yl)hex-5-en-1-amine?
1-(2,4,5-trimethyloxolan-3-yl)hex-5-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trimethyloxolan-3-yl)hex-5-en-1-amine is sourced from PubChem (CID 104987106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).