2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethanamine

C12H22N2O — CID 65178751

IUPAC2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(Cc1cnc(CCN)o1)C(C)(C)C
InChIInChI=1S/C12H22N2O/c1-9(12(2,3)4)7-10-8-14-11(15-10)5-6-13/h8-9H,5-7,13H2,1-4H3
InChIKeyAPJDSYHFXXBCHQ-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.40
Rot. Bonds4

About 2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethanamine

2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65178751) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65178751
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(Cc1cnc(CCN)o1)C(C)(C)C
InChIInChI=1S/C12H22N2O/c1-9(12(2,3)4)7-10-8-14-11(15-10)5-6-13/h8-9H,5-7,13H2,1-4H3
InChIKeyAPJDSYHFXXBCHQ-UHFFFAOYSA-N
XLogP2.40
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethanamine (CID 65178751) is 2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethanamine is CC(Cc1cnc(CCN)o1)C(C)(C)C.
What is the InChIKey of 2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is APJDSYHFXXBCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(12(2,3)4)7-10-8-14-11(15-10)5-6-13/h8-9H,5-7,13H2,1-4H3.
What are the key properties of 2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethanamine?
2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 210.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65178751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).