N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylpentan-3-amine

C11H22N4O — CID 120752454

IUPACN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylpentan-3-amine
SMILESCCC(CC)(CC)NCc1noc(CN)n1
InChIInChI=1S/C11H22N4O/c1-4-11(5-2,6-3)13-8-9-14-10(7-12)16-15-9/h13H,4-8,12H2,1-3H3
InChIKeyLTCCJJXGKMNOGK-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.59
Rot. Bonds7

About N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylpentan-3-amine

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylpentan-3-amine (PubChem CID 120752454) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylpentan-3-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylpentan-3-amine
PubChem CID120752454
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylpentan-3-amine
SMILESCCC(CC)(CC)NCc1noc(CN)n1
InChIInChI=1S/C11H22N4O/c1-4-11(5-2,6-3)13-8-9-14-10(7-12)16-15-9/h13H,4-8,12H2,1-3H3
InChIKeyLTCCJJXGKMNOGK-UHFFFAOYSA-N
XLogP1.59
TPSA76.97 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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylpentan-3-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-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylpentan-3-amine?
The IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylpentan-3-amine (CID 120752454) is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylpentan-3-amine.
What is the SMILES notation for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylpentan-3-amine?
The canonical SMILES for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylpentan-3-amine is CCC(CC)(CC)NCc1noc(CN)n1.
What is the InChIKey of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylpentan-3-amine?
The InChIKey is LTCCJJXGKMNOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-4-11(5-2,6-3)13-8-9-14-10(7-12)16-15-9/h13H,4-8,12H2,1-3H3.
What are the key properties of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylpentan-3-amine?
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylpentan-3-amine has a molecular weight of 226.32 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylpentan-3-amine is sourced from PubChem (CID 120752454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).