5-[[1-(aminomethyl)cyclohexyl]methyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine

C14H26N4O — CID 116806335

IUPAC5-[[1-(aminomethyl)cyclohexyl]methyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine
SMILESCCN(CC)c1noc(CC2(CN)CCCCC2)n1
InChIInChI=1S/C14H26N4O/c1-3-18(4-2)13-16-12(19-17-13)10-14(11-15)8-6-5-7-9-14/h3-11,15H2,1-2H3
InChIKeyZSQIUZXGIWUDRI-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.37
Rot. Bonds6

About 5-[[1-(aminomethyl)cyclohexyl]methyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine

5-[[1-(aminomethyl)cyclohexyl]methyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine (PubChem CID 116806335) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 5-[[1-(aminomethyl)cyclohexyl]methyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[[1-(aminomethyl)cyclohexyl]methyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine
PubChem CID116806335
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name5-[[1-(aminomethyl)cyclohexyl]methyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine
SMILESCCN(CC)c1noc(CC2(CN)CCCCC2)n1
InChIInChI=1S/C14H26N4O/c1-3-18(4-2)13-16-12(19-17-13)10-14(11-15)8-6-5-7-9-14/h3-11,15H2,1-2H3
InChIKeyZSQIUZXGIWUDRI-UHFFFAOYSA-N
XLogP2.37
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(aminomethyl)cyclohexyl]methyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[[1-(aminomethyl)cyclohexyl]methyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine (CID 116806335) is 5-[[1-(aminomethyl)cyclohexyl]methyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[[1-(aminomethyl)cyclohexyl]methyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[[1-(aminomethyl)cyclohexyl]methyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine is CCN(CC)c1noc(CC2(CN)CCCCC2)n1.
What is the InChIKey of 5-[[1-(aminomethyl)cyclohexyl]methyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is ZSQIUZXGIWUDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-3-18(4-2)13-16-12(19-17-13)10-14(11-15)8-6-5-7-9-14/h3-11,15H2,1-2H3.
What are the key properties of 5-[[1-(aminomethyl)cyclohexyl]methyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine?
5-[[1-(aminomethyl)cyclohexyl]methyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 266.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(aminomethyl)cyclohexyl]methyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116806335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).