1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine

C12H25NO — CID 83048379

IUPAC1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCCCC(N)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H25NO/c1-6-7-10(13)9-8-11(2,3)14-12(9,4)5/h9-10H,6-8,13H2,1-5H3
InChIKeyGNOTXVKTWJJEMX-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.71
Rot. Bonds3

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

1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (PubChem CID 83048379) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
PubChem CID83048379
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCCCC(N)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H25NO/c1-6-7-10(13)9-8-11(2,3)14-12(9,4)5/h9-10H,6-8,13H2,1-5H3
InChIKeyGNOTXVKTWJJEMX-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (CID 83048379) is 1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.
What is the SMILES notation for 1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The canonical SMILES for 1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is CCCC(N)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The InChIKey is GNOTXVKTWJJEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-7-10(13)9-8-11(2,3)14-12(9,4)5/h9-10H,6-8,13H2,1-5H3.
What are the key properties of 1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is sourced from PubChem (CID 83048379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).