(3S,5S)-5-tert-butyloxolan-3-amine

C8H17NO — CID 129498192

IUPAC(3S,5S)-5-tert-butyloxolan-3-amine
SMILESCC(C)(C)[C@@H]1C[C@H](N)CO1
InChIInChI=1S/C8H17NO/c1-8(2,3)7-4-6(9)5-10-7/h6-7H,4-5,9H2,1-3H3/t6-,7-/m0/s1
InChIKeyDAGYYGUQICJKLK-BQBZGAKWSA-N
MW143.23 g/mol
LogP1.15
Rot. Bonds

About (3S,5S)-5-tert-butyloxolan-3-amine

(3S,5S)-5-tert-butyloxolan-3-amine (PubChem CID 129498192) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (3S,5S)-5-tert-butyloxolan-3-amine.

Molecular Properties

Compound Name(3S,5S)-5-tert-butyloxolan-3-amine
PubChem CID129498192
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(3S,5S)-5-tert-butyloxolan-3-amine
SMILESCC(C)(C)[C@@H]1C[C@H](N)CO1
InChIInChI=1S/C8H17NO/c1-8(2,3)7-4-6(9)5-10-7/h6-7H,4-5,9H2,1-3H3/t6-,7-/m0/s1
InChIKeyDAGYYGUQICJKLK-BQBZGAKWSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-tert-butyloxolan-3-amine?
The IUPAC name of (3S,5S)-5-tert-butyloxolan-3-amine (CID 129498192) is (3S,5S)-5-tert-butyloxolan-3-amine.
What is the SMILES notation for (3S,5S)-5-tert-butyloxolan-3-amine?
The canonical SMILES for (3S,5S)-5-tert-butyloxolan-3-amine is CC(C)(C)[C@@H]1C[C@H](N)CO1.
What is the InChIKey of (3S,5S)-5-tert-butyloxolan-3-amine?
The InChIKey is DAGYYGUQICJKLK-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2,3)7-4-6(9)5-10-7/h6-7H,4-5,9H2,1-3H3/t6-,7-/m0/s1.
What are the key properties of (3S,5S)-5-tert-butyloxolan-3-amine?
(3S,5S)-5-tert-butyloxolan-3-amine has a molecular weight of 143.23 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-tert-butyloxolan-3-amine is sourced from PubChem (CID 129498192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).