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

C11H20N2O — CID 82399395

IUPAC2-methyl-1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]propan-1-amine
SMILESCC(C)Cc1cc(C(N)C(C)C)on1
InChIInChI=1S/C11H20N2O/c1-7(2)5-9-6-10(14-13-9)11(12)8(3)4/h6-8,11H,5,12H2,1-4H3
InChIKeyJHRDQQHYKAZJPW-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.53
Rot. Bonds4

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

2-methyl-1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]propan-1-amine (PubChem CID 82399395) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-methyl-1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]propan-1-amine
PubChem CID82399395
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-methyl-1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]propan-1-amine
SMILESCC(C)Cc1cc(C(N)C(C)C)on1
InChIInChI=1S/C11H20N2O/c1-7(2)5-9-6-10(14-13-9)11(12)8(3)4/h6-8,11H,5,12H2,1-4H3
InChIKeyJHRDQQHYKAZJPW-UHFFFAOYSA-N
XLogP2.53
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]propan-1-amine (CID 82399395) is 2-methyl-1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]propan-1-amine is CC(C)Cc1cc(C(N)C(C)C)on1.
What is the InChIKey of 2-methyl-1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]propan-1-amine?
The InChIKey is JHRDQQHYKAZJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-7(2)5-9-6-10(14-13-9)11(12)8(3)4/h6-8,11H,5,12H2,1-4H3.
What are the key properties of 2-methyl-1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]propan-1-amine?
2-methyl-1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]propan-1-amine has a molecular weight of 196.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]propan-1-amine is sourced from PubChem (CID 82399395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).