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

C9H15N3O — CID 126981492

IUPAC2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclobutan-1-amine
SMILESCc1nonc1CNC1CCC1C
InChIInChI=1S/C9H15N3O/c1-6-3-4-8(6)10-5-9-7(2)11-13-12-9/h6,8,10H,3-5H2,1-2H3
InChIKeyJXTCUPXEKJAFTL-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.27
Rot. Bonds3

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

2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclobutan-1-amine (PubChem CID 126981492) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclobutan-1-amine
PubChem CID126981492
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclobutan-1-amine
SMILESCc1nonc1CNC1CCC1C
InChIInChI=1S/C9H15N3O/c1-6-3-4-8(6)10-5-9-7(2)11-13-12-9/h6,8,10H,3-5H2,1-2H3
InChIKeyJXTCUPXEKJAFTL-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 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclobutan-1-amine (CID 126981492) is 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclobutan-1-amine is Cc1nonc1CNC1CCC1C.
What is the InChIKey of 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is JXTCUPXEKJAFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-3-4-8(6)10-5-9-7(2)11-13-12-9/h6,8,10H,3-5H2,1-2H3.
What are the key properties of 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclobutan-1-amine?
2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-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 2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 126981492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).