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

C13H24N2O — CID 65184076

IUPAC2-methyl-N-[[5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCCC(C)(C)c1cnc(CNC(C)(C)C)o1
InChIInChI=1S/C13H24N2O/c1-7-13(5,6)10-8-14-11(16-10)9-15-12(2,3)4/h8,15H,7,9H2,1-6H3
InChIKeyCJYZQONFVVICMY-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.25
Rot. Bonds4

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

2-methyl-N-[[5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine (PubChem CID 65184076) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
PubChem CID65184076
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-methyl-N-[[5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCCC(C)(C)c1cnc(CNC(C)(C)C)o1
InChIInChI=1S/C13H24N2O/c1-7-13(5,6)10-8-14-11(16-10)9-15-12(2,3)4/h8,15H,7,9H2,1-6H3
InChIKeyCJYZQONFVVICMY-UHFFFAOYSA-N
XLogP3.25
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine (CID 65184076) is 2-methyl-N-[[5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine is CCC(C)(C)c1cnc(CNC(C)(C)C)o1.
What is the InChIKey of 2-methyl-N-[[5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The InChIKey is CJYZQONFVVICMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-7-13(5,6)10-8-14-11(16-10)9-15-12(2,3)4/h8,15H,7,9H2,1-6H3.
What are the key properties of 2-methyl-N-[[5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine has a molecular weight of 224.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2-methylbutan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 65184076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).