3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine

C9H15N3O — CID 107914855

IUPAC3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine
SMILESCc1nnc(CNC2CC(C)C2)o1
InChIInChI=1S/C9H15N3O/c1-6-3-8(4-6)10-5-9-12-11-7(2)13-9/h6,8,10H,3-5H2,1-2H3
InChIKeyCSKNEGMZIHMYEX-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.27
Rot. Bonds3

About 3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine

3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine (PubChem CID 107914855) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine
PubChem CID107914855
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine
SMILESCc1nnc(CNC2CC(C)C2)o1
InChIInChI=1S/C9H15N3O/c1-6-3-8(4-6)10-5-9-12-11-7(2)13-9/h6,8,10H,3-5H2,1-2H3
InChIKeyCSKNEGMZIHMYEX-UHFFFAOYSA-N
XLogP1.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine (CID 107914855) is 3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine is Cc1nnc(CNC2CC(C)C2)o1.
What is the InChIKey of 3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is CSKNEGMZIHMYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-3-8(4-6)10-5-9-12-11-7(2)13-9/h6,8,10H,3-5H2,1-2H3.
What are the key properties of 3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine?
3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 181.24 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 107914855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).