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

C11H22N4O — CID 106961960

IUPACN-(2,2-dimethylbutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCC(C)(C)CNc1nnc(C(C)NC)o1
InChIInChI=1S/C11H22N4O/c1-6-11(3,4)7-13-10-15-14-9(16-10)8(2)12-5/h8,12H,6-7H2,1-5H3,(H,13,15)
InChIKeyOFVUHLIBSDCHDJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.20
Rot. Bonds6

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

N-(2,2-dimethylbutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106961960) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106961960
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC NameN-(2,2-dimethylbutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCC(C)(C)CNc1nnc(C(C)NC)o1
InChIInChI=1S/C11H22N4O/c1-6-11(3,4)7-13-10-15-14-9(16-10)8(2)12-5/h8,12H,6-7H2,1-5H3,(H,13,15)
InChIKeyOFVUHLIBSDCHDJ-UHFFFAOYSA-N
XLogP2.20
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

Analyze N-(2,2-dimethylbutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967549
5-[1-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
CID 106961131
N-(2-ethoxyethyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966005
5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
CID 106961321
5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106967102
5-[1-(methylamino)ethyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106968333
N-(1-ethylcyclobutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964708
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106379118
5-[1-(methylamino)ethyl]-N-[(1-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 114095232
5-[1-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970380
3-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 114167811
5-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965523

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2,2-dimethylbutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106961960) is N-(2,2-dimethylbutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2,2-dimethylbutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2,2-dimethylbutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCC(C)(C)CNc1nnc(C(C)NC)o1.
What is the InChIKey of N-(2,2-dimethylbutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is OFVUHLIBSDCHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-6-11(3,4)7-13-10-15-14-9(16-10)8(2)12-5/h8,12H,6-7H2,1-5H3,(H,13,15).
What are the key properties of N-(2,2-dimethylbutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(2,2-dimethylbutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 226.32 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106961960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).