5-(azocan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine

C12H22N4O — CID 114239831

IUPAC5-(azocan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
SMILESCCN(C)c1noc(C2CCCCCCN2)n1
InChIInChI=1S/C12H22N4O/c1-3-16(2)12-14-11(17-15-12)10-8-6-4-5-7-9-13-10/h10,13H,3-9H2,1-2H3
InChIKeyVLCZZIKRHQCSCB-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.12
Rot. Bonds3

About 5-(azocan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine

5-(azocan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine (PubChem CID 114239831) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-(azocan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(azocan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
PubChem CID114239831
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-(azocan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
SMILESCCN(C)c1noc(C2CCCCCCN2)n1
InChIInChI=1S/C12H22N4O/c1-3-16(2)12-14-11(17-15-12)10-8-6-4-5-7-9-13-10/h10,13H,3-9H2,1-2H3
InChIKeyVLCZZIKRHQCSCB-UHFFFAOYSA-N
XLogP2.12
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808240
N,N-diethyl-5-piperidin-2-yl-1,2,4-oxadiazol-3-amine
CID 116806371
N,N-diethyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-amine
CID 104900916
N-ethyl-N-methyl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine
CID 116808318
N-ethyl-N-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-amine
CID 116808345
5-(azepan-2-yl)-3-(ethylsulfanylmethyl)-1,2,4-oxadiazole
CID 65131185
3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915001
3-(ethoxymethyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915006
N-ethyl-N-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 116808442
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 102894836
5-(azocan-2-yl)-3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole
CID 114239832
3-(methylsulfanylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 94552140

Frequently Asked Questions

What is the IUPAC name of 5-(azocan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(azocan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine (CID 114239831) is 5-(azocan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(azocan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(azocan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine is CCN(C)c1noc(C2CCCCCCN2)n1.
What is the InChIKey of 5-(azocan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
The InChIKey is VLCZZIKRHQCSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-16(2)12-14-11(17-15-12)10-8-6-4-5-7-9-13-10/h10,13H,3-9H2,1-2H3.
What are the key properties of 5-(azocan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
5-(azocan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine has a molecular weight of 238.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azocan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 114239831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).