2-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine;dihydrochloride

C10H22Cl2N4O — CID 68755382

IUPAC2-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine;dihydrochloride
SMILESCN(C)CC(C)(C)c1nc(CCN)no1.Cl.Cl
InChIInChI=1S/C10H20N4O.2ClH/c1-10(2,7-14(3)4)9-12-8(5-6-11)13-15-9;;/h5-7,11H2,1-4H3;2*1H
InChIKeyWBGZWYDHKDECJB-UHFFFAOYSA-N
MW285.22 g/mol
LogP1.25
Rot. Bonds5

About 2-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine;dihydrochloride

2-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine;dihydrochloride (PubChem CID 68755382) has the molecular formula C10H22Cl2N4O and a molecular weight of 285.22 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine;dihydrochloride
PubChem CID68755382
Molecular FormulaC10H22Cl2N4O
Molecular Weight285.22 g/mol
Exact Mass284.12
IUPAC Name2-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine;dihydrochloride
SMILESCN(C)CC(C)(C)c1nc(CCN)no1.Cl.Cl
InChIInChI=1S/C10H20N4O.2ClH/c1-10(2,7-14(3)4)9-12-8(5-6-11)13-15-9;;/h5-7,11H2,1-4H3;2*1H
InChIKeyWBGZWYDHKDECJB-UHFFFAOYSA-N
XLogP1.25
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine;dihydrochloride?
The IUPAC name of 2-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine;dihydrochloride (CID 68755382) is 2-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine;dihydrochloride.
What is the SMILES notation for 2-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine;dihydrochloride?
The canonical SMILES for 2-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine;dihydrochloride is CN(C)CC(C)(C)c1nc(CCN)no1.Cl.Cl.
What is the InChIKey of 2-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine;dihydrochloride?
The InChIKey is WBGZWYDHKDECJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O.2ClH/c1-10(2,7-14(3)4)9-12-8(5-6-11)13-15-9;;/h5-7,11H2,1-4H3;2*1H.
What are the key properties of 2-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine;dihydrochloride?
2-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine;dihydrochloride has a molecular weight of 285.22 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine;dihydrochloride is sourced from PubChem (CID 68755382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).