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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Related Compounds

2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine
CID 107914602
9-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 107914691
5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962278
(2R,3R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine
CID 131031494
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 25218857
N-(3,5-dimethylcyclohexyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106962276
(5-methyl-1,3,4-oxadiazol-2-yl)methylurea
CID 130738422
1-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine
CID 107914870
2-methyl-5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazole
CID 161499473
5-[(cyclopropylamino)methyl]-N-(3,4-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962068
5-[(tert-butylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962282
N-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106965446

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).