5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine

C9H18N4O — CID 106967664

IUPAC5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine
SMILESCCC(CC)Nc1nnc(C(C)N)o1
InChIInChI=1S/C9H18N4O/c1-4-7(5-2)11-9-13-12-8(14-9)6(3)10/h6-7H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyQUXXFWIIIXIIBJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.69
Rot. Bonds5

About 5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine

5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine (PubChem CID 106967664) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine
PubChem CID106967664
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine
SMILESCCC(CC)Nc1nnc(C(C)N)o1
InChIInChI=1S/C9H18N4O/c1-4-7(5-2)11-9-13-12-8(14-9)6(3)10/h6-7H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyQUXXFWIIIXIIBJ-UHFFFAOYSA-N
XLogP1.69
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(1-aminoethyl)-N-pentan-3-yl-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

5-(1-aminoethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106960512
(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 94344079
5-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965523
5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine
CID 106966116
5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine
CID 106962258
5-(1-aminoethyl)-N-(1-cyclobutylethyl)-1,3,4-oxadiazol-2-amine
CID 106965505
5-(1-aminoethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964530
5-(1-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819595
5-(1-aminoethyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 103846511
1-N-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 106960890
5-(1-aminoethyl)-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
CID 106961130
5-(1-aminoethyl)-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
CID 106961320

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine (CID 106967664) is 5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine is CCC(CC)Nc1nnc(C(C)N)o1.
What is the InChIKey of 5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is QUXXFWIIIXIIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-4-7(5-2)11-9-13-12-8(14-9)6(3)10/h6-7H,4-5,10H2,1-3H3,(H,11,13).
What are the key properties of 5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 198.27 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).