N-[2-(5-ethyltetrazol-2-yl)ethyl]-3-methyl-3-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]butan-1-amine

C15H28N8O — CID 90934878

IUPACN-[2-(5-ethyltetrazol-2-yl)ethyl]-3-methyl-3-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]butan-1-amine
SMILESCCc1nnn(CCNCCC(C)(C)c2noc(CCNC)n2)n1
InChIInChI=1S/C15H28N8O/c1-5-12-19-22-23(20-12)11-10-17-9-7-15(2,3)14-18-13(24-21-14)6-8-16-4/h16-17H,5-11H2,1-4H3
InChIKeyUELYFYRXWHGZDA-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.34
Rot. Bonds11

About N-[2-(5-ethyltetrazol-2-yl)ethyl]-3-methyl-3-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]butan-1-amine

N-[2-(5-ethyltetrazol-2-yl)ethyl]-3-methyl-3-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]butan-1-amine (PubChem CID 90934878) has the molecular formula C15H28N8O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(5-ethyltetrazol-2-yl)ethyl]-3-methyl-3-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(5-ethyltetrazol-2-yl)ethyl]-3-methyl-3-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]butan-1-amine
PubChem CID90934878
Molecular FormulaC15H28N8O
Molecular Weight336.44 g/mol
Exact Mass336.24
IUPAC NameN-[2-(5-ethyltetrazol-2-yl)ethyl]-3-methyl-3-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]butan-1-amine
SMILESCCc1nnn(CCNCCC(C)(C)c2noc(CCNC)n2)n1
InChIInChI=1S/C15H28N8O/c1-5-12-19-22-23(20-12)11-10-17-9-7-15(2,3)14-18-13(24-21-14)6-8-16-4/h16-17H,5-11H2,1-4H3
InChIKeyUELYFYRXWHGZDA-UHFFFAOYSA-N
XLogP0.34
TPSA106.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[2-(5-ethyltetrazol-2-yl)ethyl]-3-methyl-3-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]butan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyltetrazol-2-yl)ethyl]-3-methyl-3-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]butan-1-amine?
The IUPAC name of N-[2-(5-ethyltetrazol-2-yl)ethyl]-3-methyl-3-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]butan-1-amine (CID 90934878) is N-[2-(5-ethyltetrazol-2-yl)ethyl]-3-methyl-3-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]butan-1-amine.
What is the SMILES notation for N-[2-(5-ethyltetrazol-2-yl)ethyl]-3-methyl-3-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]butan-1-amine?
The canonical SMILES for N-[2-(5-ethyltetrazol-2-yl)ethyl]-3-methyl-3-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]butan-1-amine is CCc1nnn(CCNCCC(C)(C)c2noc(CCNC)n2)n1.
What is the InChIKey of N-[2-(5-ethyltetrazol-2-yl)ethyl]-3-methyl-3-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]butan-1-amine?
The InChIKey is UELYFYRXWHGZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N8O/c1-5-12-19-22-23(20-12)11-10-17-9-7-15(2,3)14-18-13(24-21-14)6-8-16-4/h16-17H,5-11H2,1-4H3.
What are the key properties of N-[2-(5-ethyltetrazol-2-yl)ethyl]-3-methyl-3-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]butan-1-amine?
N-[2-(5-ethyltetrazol-2-yl)ethyl]-3-methyl-3-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]butan-1-amine has a molecular weight of 336.44 g/mol, XLogP of 0.34, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyltetrazol-2-yl)ethyl]-3-methyl-3-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]butan-1-amine is sourced from PubChem (CID 90934878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).