methanamine;3-[[(3-methylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carbaldehyde

C10H18N4O2 — CID 164877104

IUPACmethanamine;3-[[(3-methylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carbaldehyde
SMILESCC1CC(NCc2noc(C=O)n2)C1.CN
InChIInChI=1S/C9H13N3O2.CH5N/c1-6-2-7(3-6)10-4-8-11-9(5-13)14-12-8;1-2/h5-7,10H,2-4H2,1H3;2H2,1H3
InChIKeyQHVMGTIFPLEIAT-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.35
Rot. Bonds4

About methanamine;3-[[(3-methylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carbaldehyde

methanamine;3-[[(3-methylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carbaldehyde (PubChem CID 164877104) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is methanamine;3-[[(3-methylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carbaldehyde.

Molecular Properties

Compound Namemethanamine;3-[[(3-methylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carbaldehyde
PubChem CID164877104
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Namemethanamine;3-[[(3-methylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carbaldehyde
SMILESCC1CC(NCc2noc(C=O)n2)C1.CN
InChIInChI=1S/C9H13N3O2.CH5N/c1-6-2-7(3-6)10-4-8-11-9(5-13)14-12-8;1-2/h5-7,10H,2-4H2,1H3;2H2,1H3
InChIKeyQHVMGTIFPLEIAT-UHFFFAOYSA-N
XLogP0.35
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanamine;3-[[(3-methylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carbaldehyde?
The IUPAC name of methanamine;3-[[(3-methylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carbaldehyde (CID 164877104) is methanamine;3-[[(3-methylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carbaldehyde.
What is the SMILES notation for methanamine;3-[[(3-methylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carbaldehyde?
The canonical SMILES for methanamine;3-[[(3-methylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carbaldehyde is CC1CC(NCc2noc(C=O)n2)C1.CN.
What is the InChIKey of methanamine;3-[[(3-methylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carbaldehyde?
The InChIKey is QHVMGTIFPLEIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2.CH5N/c1-6-2-7(3-6)10-4-8-11-9(5-13)14-12-8;1-2/h5-7,10H,2-4H2,1H3;2H2,1H3.
What are the key properties of methanamine;3-[[(3-methylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carbaldehyde?
methanamine;3-[[(3-methylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carbaldehyde has a molecular weight of 226.28 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;3-[[(3-methylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carbaldehyde is sourced from PubChem (CID 164877104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).