N',N'-dimethyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine

C13H21F3N4O — CID 104635343

IUPACN',N'-dimethyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
SMILESCN(C)CC(N)c1noc(C2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H21F3N4O/c1-20(2)7-10(17)11-18-12(21-19-11)8-3-5-9(6-4-8)13(14,15)16/h8-10H,3-7,17H2,1-2H3
InChIKeyFPOQGKHDHHSANU-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.47
Rot. Bonds4

About N',N'-dimethyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine

N',N'-dimethyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine (PubChem CID 104635343) has the molecular formula C13H21F3N4O and a molecular weight of 306.33 g/mol. Its IUPAC name is N',N'-dimethyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
PubChem CID104635343
Molecular FormulaC13H21F3N4O
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC NameN',N'-dimethyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
SMILESCN(C)CC(N)c1noc(C2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H21F3N4O/c1-20(2)7-10(17)11-18-12(21-19-11)8-3-5-9(6-4-8)13(14,15)16/h8-10H,3-7,17H2,1-2H3
InChIKeyFPOQGKHDHHSANU-UHFFFAOYSA-N
XLogP2.47
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N',N'-dimethyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine with MolForge

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Related Compounds

1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635196
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61326658
N',N'-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 103211824
N',N'-diethyl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 113435593
2-ethoxy-1-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634069
1-[5-(4-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326434
1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine
CID 61323612
N',N'-dimethyl-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635334
N',N'-dimethyl-1-[5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635083
2,2-dimethyl-1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62905005
N',N'-dimethyl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635243
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43559769

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine (CID 104635343) is N',N'-dimethyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine is CN(C)CC(N)c1noc(C2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of N',N'-dimethyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The InChIKey is FPOQGKHDHHSANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O/c1-20(2)7-10(17)11-18-12(21-19-11)8-3-5-9(6-4-8)13(14,15)16/h8-10H,3-7,17H2,1-2H3.
What are the key properties of N',N'-dimethyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
N',N'-dimethyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine has a molecular weight of 306.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 104635343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).