5-(aminomethyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,3,4-oxadiazol-2-amine

C15H21N5O — CID 137341025

IUPAC5-(aminomethyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCN(CC1Cc2ccccc2CN1C)c1nnc(CN)o1
InChIInChI=1S/C15H21N5O/c1-19-9-12-6-4-3-5-11(12)7-13(19)10-20(2)15-18-17-14(8-16)21-15/h3-6,13H,7-10,16H2,1-2H3
InChIKeyBFWXLYALUXCVHE-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.02
Rot. Bonds4

About 5-(aminomethyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 137341025) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-(aminomethyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID137341025
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name5-(aminomethyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCN(CC1Cc2ccccc2CN1C)c1nnc(CN)o1
InChIInChI=1S/C15H21N5O/c1-19-9-12-6-4-3-5-11(12)7-13(19)10-20(2)15-18-17-14(8-16)21-15/h3-6,13H,7-10,16H2,1-2H3
InChIKeyBFWXLYALUXCVHE-UHFFFAOYSA-N
XLogP1.02
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 137341025) is 5-(aminomethyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,3,4-oxadiazol-2-amine is CN(CC1Cc2ccccc2CN1C)c1nnc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is BFWXLYALUXCVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-19-9-12-6-4-3-5-11(12)7-13(19)10-20(2)15-18-17-14(8-16)21-15/h3-6,13H,7-10,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 287.37 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 137341025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).