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

C10H20N4O — CID 106960441

IUPAC5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
SMILESCCCC(CC)Nc1nnc(CCN)o1
InChIInChI=1S/C10H20N4O/c1-3-5-8(4-2)12-10-14-13-9(15-10)6-7-11/h8H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyJNYJMBOAEOMFEI-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.56
Rot. Bonds7

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

5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine (PubChem CID 106960441) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
PubChem CID106960441
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
SMILESCCCC(CC)Nc1nnc(CCN)o1
InChIInChI=1S/C10H20N4O/c1-3-5-8(4-2)12-10-14-13-9(15-10)6-7-11/h8H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyJNYJMBOAEOMFEI-UHFFFAOYSA-N
XLogP1.56
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
CID 106966297
5-[(cyclopropylamino)methyl]-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
CID 106960442
5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819587
5-(aminomethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
CID 106966295
5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106962109
5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968865
5-(2-aminoethyl)-N-(1-cyclobutylethyl)-1,3,4-oxadiazol-2-amine
CID 106965502
2-(5-butan-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62070943
5-(2-aminoethyl)-N-[2-(3-methylbutoxy)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959660
5-(2-aminoethyl)-N-(4-butylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968856
5-(ethylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965526
5-(2-aminoethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1,3,4-oxadiazol-2-amine
CID 106965102

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine (CID 106960441) is 5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine is CCCC(CC)Nc1nnc(CCN)o1.
What is the InChIKey of 5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is JNYJMBOAEOMFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-3-5-8(4-2)12-10-14-13-9(15-10)6-7-11/h8H,3-7,11H2,1-2H3,(H,12,14).
What are the key properties of 5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 212.30 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).