2,2-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine

C8H15N3O — CID 68918451

IUPAC2,2-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine
SMILESCc1nnc(C(N)C(C)(C)C)o1
InChIInChI=1S/C8H15N3O/c1-5-10-11-7(12-5)6(9)8(2,3)4/h6H,9H2,1-4H3
InChIKeyBFJDESIQJJRCTH-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.42
Rot. Bonds1

About 2,2-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine

2,2-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine (PubChem CID 68918451) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2,2-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine
PubChem CID68918451
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2,2-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine
SMILESCc1nnc(C(N)C(C)(C)C)o1
InChIInChI=1S/C8H15N3O/c1-5-10-11-7(12-5)6(9)8(2,3)4/h6H,9H2,1-4H3
InChIKeyBFJDESIQJJRCTH-UHFFFAOYSA-N
XLogP1.42
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine (CID 68918451) is 2,2-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine is Cc1nnc(C(N)C(C)(C)C)o1.
What is the InChIKey of 2,2-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The InChIKey is BFJDESIQJJRCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-5-10-11-7(12-5)6(9)8(2,3)4/h6H,9H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
2,2-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine has a molecular weight of 169.23 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine is sourced from PubChem (CID 68918451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).