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

C9H18N4O — CID 106966297

IUPAC5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCCCC(C)Nc1nnc(CCN)o1
InChIInChI=1S/C9H18N4O/c1-3-4-7(2)11-9-13-12-8(14-9)5-6-10/h7H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyDBAZVJFBXHFQST-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.17
Rot. Bonds6

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

5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 106966297) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID106966297
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCCCC(C)Nc1nnc(CCN)o1
InChIInChI=1S/C9H18N4O/c1-3-4-7(2)11-9-13-12-8(14-9)5-6-10/h7H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyDBAZVJFBXHFQST-UHFFFAOYSA-N
XLogP1.17
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
CID 106966295
5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
CID 106960441
5-(2-aminoethyl)-N-(1-cyclobutylethyl)-1,3,4-oxadiazol-2-amine
CID 106965502
5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819587
5-(2-aminoethyl)-N-[2-(3-methylbutoxy)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959660
5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106970670
2-(5-butan-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62070943
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106964276
5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968865
5-(aminomethyl)-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 106970644
5-(2-aminoethyl)-N-(4-butylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968856
5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959682

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine (CID 106966297) is 5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine is CCCC(C)Nc1nnc(CCN)o1.
What is the InChIKey of 5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is DBAZVJFBXHFQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-3-4-7(2)11-9-13-12-8(14-9)5-6-10/h7H,3-6,10H2,1-2H3,(H,11,13).
What are the key properties of 5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 198.27 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).