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

C11H23NO — CID 114982474

IUPAC1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
SMILESCCCC(N)C1C(C)OC(C)C1C
InChIInChI=1S/C11H23NO/c1-5-6-10(12)11-7(2)8(3)13-9(11)4/h7-11H,5-6,12H2,1-4H3
InChIKeyYFVBRVNRHZCYNX-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.17
Rot. Bonds3

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

1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine (PubChem CID 114982474) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
PubChem CID114982474
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
SMILESCCCC(N)C1C(C)OC(C)C1C
InChIInChI=1S/C11H23NO/c1-5-6-10(12)11-7(2)8(3)13-9(11)4/h7-11H,5-6,12H2,1-4H3
InChIKeyYFVBRVNRHZCYNX-UHFFFAOYSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
The IUPAC name of 1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine (CID 114982474) is 1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine.
What is the SMILES notation for 1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
The canonical SMILES for 1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine is CCCC(N)C1C(C)OC(C)C1C.
What is the InChIKey of 1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
The InChIKey is YFVBRVNRHZCYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-6-10(12)11-7(2)8(3)13-9(11)4/h7-11H,5-6,12H2,1-4H3.
What are the key properties of 1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.17, 3 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)butan-1-amine is sourced from PubChem (CID 114982474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).