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

C7H13N3O — CID 62139451

IUPACN-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine
SMILESCNCCCc1nnc(C)o1
InChIInChI=1S/C7H13N3O/c1-6-9-10-7(11-6)4-3-5-8-2/h8H,3-5H2,1-2H3
InChIKeyXMOYLZOAAGRGTC-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.53
Rot. Bonds4

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

N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine (PubChem CID 62139451) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine
PubChem CID62139451
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine
SMILESCNCCCc1nnc(C)o1
InChIInChI=1S/C7H13N3O/c1-6-9-10-7(11-6)4-3-5-8-2/h8H,3-5H2,1-2H3
InChIKeyXMOYLZOAAGRGTC-UHFFFAOYSA-N
XLogP0.53
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65152298
3-[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 103022424
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 62162393
2-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
CID 62163830
3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 55039266
N-methyl-3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62138338
2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine
CID 62162723
N-methyl-3-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62139085
N-methyl-3-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 83136979
3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 104672324
3-[5-(5-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 65309448
5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 60911040

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine (CID 62139451) is N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine is CNCCCc1nnc(C)o1.
What is the InChIKey of N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The InChIKey is XMOYLZOAAGRGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-6-9-10-7(11-6)4-3-5-8-2/h8H,3-5H2,1-2H3.
What are the key properties of N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine?
N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine has a molecular weight of 155.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine is sourced from PubChem (CID 62139451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).