4-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine

C13H23N3O — CID 113243071

IUPAC4-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCCC1CCC(NCCc2noc(C)n2)CC1
InChIInChI=1S/C13H23N3O/c1-3-11-4-6-12(7-5-11)14-9-8-13-15-10(2)17-16-13/h11-12,14H,3-9H2,1-2H3
InChIKeyWJFBZXYLFRNFBR-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.48
Rot. Bonds5

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

4-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine (PubChem CID 113243071) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
PubChem CID113243071
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCCC1CCC(NCCc2noc(C)n2)CC1
InChIInChI=1S/C13H23N3O/c1-3-11-4-6-12(7-5-11)14-9-8-13-15-10(2)17-16-13/h11-12,14H,3-9H2,1-2H3
InChIKeyWJFBZXYLFRNFBR-UHFFFAOYSA-N
XLogP2.48
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine
CID 103698868
4-tert-butyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103698883
3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclopentan-1-amine
CID 103698869
2,6-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103931580
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propan-2-yloxan-4-amine
CID 103931537
N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine
CID 60837903
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103931523
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclopentan-1-amine
CID 103748222
1-(cyclopropylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-2-sulfonamide
CID 106423680
N-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine
CID 106418172
N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 106418270
2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclopentan-1-amine
CID 106413869

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine (CID 113243071) is 4-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine is CCC1CCC(NCCc2noc(C)n2)CC1.
What is the InChIKey of 4-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine?
The InChIKey is WJFBZXYLFRNFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-11-4-6-12(7-5-11)14-9-8-13-15-10(2)17-16-13/h11-12,14H,3-9H2,1-2H3.
What are the key properties of 4-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine?
4-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 113243071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).