5-[1-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine

C11H22N4O — CID 106961131

IUPAC5-[1-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(NCCCC(C)C)o1
InChIInChI=1S/C11H22N4O/c1-8(2)6-5-7-13-11-15-14-10(16-11)9(3)12-4/h8-9,12H,5-7H2,1-4H3,(H,13,15)
InChIKeyXUGBNCHKDHYQNW-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.20
Rot. Bonds7

About 5-[1-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine

5-[1-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106961131) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-[1-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
PubChem CID106961131
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name5-[1-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(NCCCC(C)C)o1
InChIInChI=1S/C11H22N4O/c1-8(2)6-5-7-13-11-15-14-10(16-11)9(3)12-4/h8-9,12H,5-7H2,1-4H3,(H,13,15)
InChIKeyXUGBNCHKDHYQNW-UHFFFAOYSA-N
XLogP2.20
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(1-aminoethyl)-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
CID 106961130
5-[1-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970380
5-[1-(ethylamino)ethyl]-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 107819579
5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
CID 106961321
5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 114004538
N-(2-ethoxyethyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966005
5-[1-(methylamino)ethyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106425032
N-(2,2-dimethylbutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961960
N-[2-(2-fluorophenyl)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966743
5-(chloromethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine
CID 106958282
5-[1-(methylamino)ethyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106968333
5-[1-(methylamino)ethyl]-N-[(1-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 114095232

Frequently Asked Questions

What is the IUPAC name of 5-[1-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine (CID 106961131) is 5-[1-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine is CNC(C)c1nnc(NCCCC(C)C)o1.
What is the InChIKey of 5-[1-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is XUGBNCHKDHYQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-8(2)6-5-7-13-11-15-14-10(16-11)9(3)12-4/h8-9,12H,5-7H2,1-4H3,(H,13,15).
What are the key properties of 5-[1-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine?
5-[1-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 226.32 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106961131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).