N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine

C13H24N4O — CID 120751565

IUPACN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine
SMILESCN(Cc1noc(CN)n1)C1CCCCCCC1
InChIInChI=1S/C13H24N4O/c1-17(10-12-15-13(9-14)18-16-12)11-7-5-3-2-4-6-8-11/h11H,2-10,14H2,1H3
InChIKeyGIVUOWGFFQRDTG-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.07
Rot. Bonds4

About N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine (PubChem CID 120751565) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine
PubChem CID120751565
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine
SMILESCN(Cc1noc(CN)n1)C1CCCCCCC1
InChIInChI=1S/C13H24N4O/c1-17(10-12-15-13(9-14)18-16-12)11-7-5-3-2-4-6-8-11/h11H,2-10,14H2,1H3
InChIKeyGIVUOWGFFQRDTG-UHFFFAOYSA-N
XLogP2.07
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine?
The IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine (CID 120751565) is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine.
What is the SMILES notation for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine?
The canonical SMILES for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine is CN(Cc1noc(CN)n1)C1CCCCCCC1.
What is the InChIKey of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine?
The InChIKey is GIVUOWGFFQRDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-17(10-12-15-13(9-14)18-16-12)11-7-5-3-2-4-6-8-11/h11H,2-10,14H2,1H3.
What are the key properties of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine?
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine has a molecular weight of 252.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine is sourced from PubChem (CID 120751565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).