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

C13H24N2O — CID 65179205

IUPAC3-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCC(Cc1cnc(CCCN)o1)C(C)(C)C
InChIInChI=1S/C13H24N2O/c1-10(13(2,3)4)8-11-9-15-12(16-11)6-5-7-14/h9-10H,5-8,14H2,1-4H3
InChIKeyARHBCMASIHEKNQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.79
Rot. Bonds5

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

3-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65179205) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65179205
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCC(Cc1cnc(CCCN)o1)C(C)(C)C
InChIInChI=1S/C13H24N2O/c1-10(13(2,3)4)8-11-9-15-12(16-11)6-5-7-14/h9-10H,5-8,14H2,1-4H3
InChIKeyARHBCMASIHEKNQ-UHFFFAOYSA-N
XLogP2.79
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]propan-1-amine (CID 65179205) is 3-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]propan-1-amine is CC(Cc1cnc(CCCN)o1)C(C)(C)C.
What is the InChIKey of 3-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is ARHBCMASIHEKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(13(2,3)4)8-11-9-15-12(16-11)6-5-7-14/h9-10H,5-8,14H2,1-4H3.
What are the key properties of 3-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]propan-1-amine?
3-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65179205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).