N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine;hydrochloride

C13H27ClN4O2 — CID 119930437

IUPACN-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine;hydrochloride
SMILESCOCCN(Cc1nc(C(C)(C)N)no1)CC(C)C.Cl
InChIInChI=1S/C13H26N4O2.ClH/c1-10(2)8-17(6-7-18-5)9-11-15-12(16-19-11)13(3,4)14;/h10H,6-9,14H2,1-5H3;1H
InChIKeyXGJIWGVZAOKYKB-UHFFFAOYSA-N
MW306.84 g/mol
LogP1.79
Rot. Bonds8

About N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine;hydrochloride

N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine;hydrochloride (PubChem CID 119930437) has the molecular formula C13H27ClN4O2 and a molecular weight of 306.84 g/mol. Its IUPAC name is N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine;hydrochloride
PubChem CID119930437
Molecular FormulaC13H27ClN4O2
Molecular Weight306.84 g/mol
Exact Mass306.18
IUPAC NameN-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine;hydrochloride
SMILESCOCCN(Cc1nc(C(C)(C)N)no1)CC(C)C.Cl
InChIInChI=1S/C13H26N4O2.ClH/c1-10(2)8-17(6-7-18-5)9-11-15-12(16-19-11)13(3,4)14;/h10H,6-9,14H2,1-5H3;1H
InChIKeyXGJIWGVZAOKYKB-UHFFFAOYSA-N
XLogP1.79
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine;hydrochloride?
The IUPAC name of N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine;hydrochloride (CID 119930437) is N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine;hydrochloride?
The canonical SMILES for N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine;hydrochloride is COCCN(Cc1nc(C(C)(C)N)no1)CC(C)C.Cl.
What is the InChIKey of N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine;hydrochloride?
The InChIKey is XGJIWGVZAOKYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2.ClH/c1-10(2)8-17(6-7-18-5)9-11-15-12(16-19-11)13(3,4)14;/h10H,6-9,14H2,1-5H3;1H.
What are the key properties of N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine;hydrochloride?
N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 119930437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).