[3-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

C10H19ClN4O2 — CID 120751207

IUPAC[3-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCC1(C)CN(Cc2noc(CN)n2)CCO1.Cl
InChIInChI=1S/C10H18N4O2.ClH/c1-10(2)7-14(3-4-15-10)6-8-12-9(5-11)16-13-8;/h3-7,11H2,1-2H3;1H
InChIKeyDDHCALGPJXKPJN-UHFFFAOYSA-N
MW262.74 g/mol
LogP0.56
Rot. Bonds3

About [3-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

[3-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (PubChem CID 120751207) has the molecular formula C10H19ClN4O2 and a molecular weight of 262.74 g/mol. Its IUPAC name is [3-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
PubChem CID120751207
Molecular FormulaC10H19ClN4O2
Molecular Weight262.74 g/mol
Exact Mass262.12
IUPAC Name[3-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCC1(C)CN(Cc2noc(CN)n2)CCO1.Cl
InChIInChI=1S/C10H18N4O2.ClH/c1-10(2)7-14(3-4-15-10)6-8-12-9(5-11)16-13-8;/h3-7,11H2,1-2H3;1H
InChIKeyDDHCALGPJXKPJN-UHFFFAOYSA-N
XLogP0.56
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [3-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (CID 120751207) is [3-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [3-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is CC1(C)CN(Cc2noc(CN)n2)CCO1.Cl.
What is the InChIKey of [3-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The InChIKey is DDHCALGPJXKPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2.ClH/c1-10(2)7-14(3-4-15-10)6-8-12-9(5-11)16-13-8;/h3-7,11H2,1-2H3;1H.
What are the key properties of [3-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
[3-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride has a molecular weight of 262.74 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 120751207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).