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

C9H18N4O — CID 106967549

IUPACN-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(NC(C)(C)C)o1
InChIInChI=1S/C9H18N4O/c1-6(10-5)7-12-13-8(14-7)11-9(2,3)4/h6,10H,1-5H3,(H,11,13)
InChIKeySFULJOWAWBWHHU-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.56
Rot. Bonds3

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

N-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106967549) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is N-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106967549
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC NameN-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(NC(C)(C)C)o1
InChIInChI=1S/C9H18N4O/c1-6(10-5)7-12-13-8(14-7)11-9(2,3)4/h6,10H,1-5H3,(H,11,13)
InChIKeySFULJOWAWBWHHU-UHFFFAOYSA-N
XLogP1.56
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-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-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956306
N-(2,2-dimethylbutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961960
5-[1-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
CID 106961131
5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
CID 106961321
5-[1-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970380
N-(2-ethoxyethyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966005
5-[1-(methylamino)ethyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106968333
N-(2,2-dimethylcyclopropyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970394
5-[1-(methylamino)ethyl]-N-[(1-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 114095232
5-[1-(methylamino)ethyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966724
5-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965523
5-[1-(methylamino)ethyl]-N-[1-(oxan-4-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 114115371

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106967549) is N-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is CNC(C)c1nnc(NC(C)(C)C)o1.
What is the InChIKey of N-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is SFULJOWAWBWHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-6(10-5)7-12-13-8(14-7)11-9(2,3)4/h6,10H,1-5H3,(H,11,13).
What are the key properties of N-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 198.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).