1-(2,1,3-benzoxadiazol-5-yl)-N-methylpropan-2-amine

C10H13N3O — CID 155822811

IUPAC1-(2,1,3-benzoxadiazol-5-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc2nonc2c1
InChIInChI=1S/C10H13N3O/c1-7(11-2)5-8-3-4-9-10(6-8)13-14-12-9/h3-4,6-7,11H,5H2,1-2H3
InChIKeyBQJMJKZIZSBANE-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.37
Rot. Bonds3

About 1-(2,1,3-benzoxadiazol-5-yl)-N-methylpropan-2-amine

1-(2,1,3-benzoxadiazol-5-yl)-N-methylpropan-2-amine (PubChem CID 155822811) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(2,1,3-benzoxadiazol-5-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,1,3-benzoxadiazol-5-yl)-N-methylpropan-2-amine
PubChem CID155822811
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(2,1,3-benzoxadiazol-5-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc2nonc2c1
InChIInChI=1S/C10H13N3O/c1-7(11-2)5-8-3-4-9-10(6-8)13-14-12-9/h3-4,6-7,11H,5H2,1-2H3
InChIKeyBQJMJKZIZSBANE-UHFFFAOYSA-N
XLogP1.37
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzoxadiazol-5-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2,1,3-benzoxadiazol-5-yl)-N-methylpropan-2-amine (CID 155822811) is 1-(2,1,3-benzoxadiazol-5-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2,1,3-benzoxadiazol-5-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2,1,3-benzoxadiazol-5-yl)-N-methylpropan-2-amine is CNC(C)Cc1ccc2nonc2c1.
What is the InChIKey of 1-(2,1,3-benzoxadiazol-5-yl)-N-methylpropan-2-amine?
The InChIKey is BQJMJKZIZSBANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7(11-2)5-8-3-4-9-10(6-8)13-14-12-9/h3-4,6-7,11H,5H2,1-2H3.
What are the key properties of 1-(2,1,3-benzoxadiazol-5-yl)-N-methylpropan-2-amine?
1-(2,1,3-benzoxadiazol-5-yl)-N-methylpropan-2-amine has a molecular weight of 191.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzoxadiazol-5-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 155822811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).