[(2S,3R)-2-tert-butyloxolan-3-yl]methanamine

C9H19NO — CID 75525007

IUPAC[(2S,3R)-2-tert-butyloxolan-3-yl]methanamine
SMILESCC(C)(C)[C@H]1OCC[C@@H]1CN
InChIInChI=1S/C9H19NO/c1-9(2,3)8-7(6-10)4-5-11-8/h7-8H,4-6,10H2,1-3H3/t7-,8+/m1/s1
InChIKeyJIPFBCZZZJBRER-SFYZADRCSA-N
MW157.26 g/mol
LogP1.40
Rot. Bonds1

About [(2S,3R)-2-tert-butyloxolan-3-yl]methanamine

[(2S,3R)-2-tert-butyloxolan-3-yl]methanamine (PubChem CID 75525007) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is [(2S,3R)-2-tert-butyloxolan-3-yl]methanamine.

Molecular Properties

Compound Name[(2S,3R)-2-tert-butyloxolan-3-yl]methanamine
PubChem CID75525007
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name[(2S,3R)-2-tert-butyloxolan-3-yl]methanamine
SMILESCC(C)(C)[C@H]1OCC[C@@H]1CN
InChIInChI=1S/C9H19NO/c1-9(2,3)8-7(6-10)4-5-11-8/h7-8H,4-6,10H2,1-3H3/t7-,8+/m1/s1
InChIKeyJIPFBCZZZJBRER-SFYZADRCSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-tert-butyloxolan-3-yl]methanamine?
The IUPAC name of [(2S,3R)-2-tert-butyloxolan-3-yl]methanamine (CID 75525007) is [(2S,3R)-2-tert-butyloxolan-3-yl]methanamine.
What is the SMILES notation for [(2S,3R)-2-tert-butyloxolan-3-yl]methanamine?
The canonical SMILES for [(2S,3R)-2-tert-butyloxolan-3-yl]methanamine is CC(C)(C)[C@H]1OCC[C@@H]1CN.
What is the InChIKey of [(2S,3R)-2-tert-butyloxolan-3-yl]methanamine?
The InChIKey is JIPFBCZZZJBRER-SFYZADRCSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,3)8-7(6-10)4-5-11-8/h7-8H,4-6,10H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of [(2S,3R)-2-tert-butyloxolan-3-yl]methanamine?
[(2S,3R)-2-tert-butyloxolan-3-yl]methanamine has a molecular weight of 157.26 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-tert-butyloxolan-3-yl]methanamine is sourced from PubChem (CID 75525007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).