2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine

C15H20N4O — CID 83210466

IUPAC2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(Cc3noc(C4CC4)n3)cc21
InChIInChI=1S/C15H20N4O/c1-16-13-4-2-3-11-7-19(8-12(11)13)9-14-17-15(20-18-14)10-5-6-10/h7-8,10,13,16H,2-6,9H2,1H3
InChIKeyOJQLJPNQJHIJHM-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.39
Rot. Bonds4

About 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine

2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83210466) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83210466
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(Cc3noc(C4CC4)n3)cc21
InChIInChI=1S/C15H20N4O/c1-16-13-4-2-3-11-7-19(8-12(11)13)9-14-17-15(20-18-14)10-5-6-10/h7-8,10,13,16H,2-6,9H2,1H3
InChIKeyOJQLJPNQJHIJHM-UHFFFAOYSA-N
XLogP2.39
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine with MolForge

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Related Compounds

N-methyl-2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212983
2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213062
N-methyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213481
N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208353
1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]-N-methylethanamine
CID 79099859
N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208070
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 116523018
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol
CID 66399542
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 54595428
2-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83214487
4-[[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]methyl]benzonitrile
CID 83211319
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208338

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine (CID 83210466) is 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine is CNC1CCCc2cn(Cc3noc(C4CC4)n3)cc21.
What is the InChIKey of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is OJQLJPNQJHIJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-16-13-4-2-3-11-7-19(8-12(11)13)9-14-17-15(20-18-14)10-5-6-10/h7-8,10,13,16H,2-6,9H2,1H3.
What are the key properties of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 272.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83210466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).