3-butyloxolan-3-amine

C8H17NO — CID 65020108

IUPAC3-butyloxolan-3-amine
SMILESCCCCC1(N)CCOC1
InChIInChI=1S/C8H17NO/c1-2-3-4-8(9)5-6-10-7-8/h2-7,9H2,1H3
InChIKeyGWXZBGAUWCKISN-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.29
Rot. Bonds3

About 3-butyloxolan-3-amine

3-butyloxolan-3-amine (PubChem CID 65020108) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-butyloxolan-3-amine.

Molecular Properties

Compound Name3-butyloxolan-3-amine
PubChem CID65020108
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-butyloxolan-3-amine
SMILESCCCCC1(N)CCOC1
InChIInChI=1S/C8H17NO/c1-2-3-4-8(9)5-6-10-7-8/h2-7,9H2,1H3
InChIKeyGWXZBGAUWCKISN-UHFFFAOYSA-N
XLogP1.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyloxolan-3-amine?
The IUPAC name of 3-butyloxolan-3-amine (CID 65020108) is 3-butyloxolan-3-amine.
What is the SMILES notation for 3-butyloxolan-3-amine?
The canonical SMILES for 3-butyloxolan-3-amine is CCCCC1(N)CCOC1.
What is the InChIKey of 3-butyloxolan-3-amine?
The InChIKey is GWXZBGAUWCKISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-3-4-8(9)5-6-10-7-8/h2-7,9H2,1H3.
What are the key properties of 3-butyloxolan-3-amine?
3-butyloxolan-3-amine has a molecular weight of 143.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyloxolan-3-amine is sourced from PubChem (CID 65020108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).