2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine

C8H14N2O — CID 82416552

IUPAC2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine
SMILESCC(C)(C)C(N)c1ncco1
InChIInChI=1S/C8H14N2O/c1-8(2,3)6(9)7-10-4-5-11-7/h4-6H,9H2,1-3H3
InChIKeyJTLRYFXFMOCOGL-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.72
Rot. Bonds1

About 2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine

2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine (PubChem CID 82416552) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine
PubChem CID82416552
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine
SMILESCC(C)(C)C(N)c1ncco1
InChIInChI=1S/C8H14N2O/c1-8(2,3)6(9)7-10-4-5-11-7/h4-6H,9H2,1-3H3
InChIKeyJTLRYFXFMOCOGL-UHFFFAOYSA-N
XLogP1.72
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine (CID 82416552) is 2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine is CC(C)(C)C(N)c1ncco1.
What is the InChIKey of 2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine?
The InChIKey is JTLRYFXFMOCOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(2,3)6(9)7-10-4-5-11-7/h4-6H,9H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine?
2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine has a molecular weight of 154.21 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine is sourced from PubChem (CID 82416552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).