1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine

C12H22N4O — CID 104635196

IUPAC1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CC(N)c1noc(CC2CCCC2)n1
InChIInChI=1S/C12H22N4O/c1-16(2)8-10(13)12-14-11(17-15-12)7-9-5-3-4-6-9/h9-10H,3-8,13H2,1-2H3
InChIKeyJTVVYOIFOXADAZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.36
Rot. Bonds5

About 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine

1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 104635196) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID104635196
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CC(N)c1noc(CC2CCCC2)n1
InChIInChI=1S/C12H22N4O/c1-16(2)8-10(13)12-14-11(17-15-12)7-9-5-3-4-6-9/h9-10H,3-8,13H2,1-2H3
InChIKeyJTVVYOIFOXADAZ-UHFFFAOYSA-N
XLogP1.36
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633268
N',N'-diethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635646
1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 83137324
5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole
CID 127318368
N',N'-dimethyl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635243
N',N'-dimethyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635343
5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine
CID 114458859
N',N'-dimethyl-1-[5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635083
1-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635319
[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326432
N',N'-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 103211824
5-(cycloheptylmethyl)-3-iodo-1,2,4-oxadiazole
CID 114458862

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine (CID 104635196) is 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CC(N)c1noc(CC2CCCC2)n1.
What is the InChIKey of 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is JTVVYOIFOXADAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-16(2)8-10(13)12-14-11(17-15-12)7-9-5-3-4-6-9/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine?
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 104635196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).