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

C13H23N3O — CID 71861767

IUPACN-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylcyclohexan-1-amine
SMILESCCc1nnc(C(C)NC2CCCCC2C)o1
InChIInChI=1S/C13H23N3O/c1-4-12-15-16-13(17-12)10(3)14-11-8-6-5-7-9(11)2/h9-11,14H,4-8H2,1-3H3
InChIKeyDCAJHUPVPJKRRP-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.86
Rot. Bonds4

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

N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylcyclohexan-1-amine (PubChem CID 71861767) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylcyclohexan-1-amine
PubChem CID71861767
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylcyclohexan-1-amine
SMILESCCc1nnc(C(C)NC2CCCCC2C)o1
InChIInChI=1S/C13H23N3O/c1-4-12-15-16-13(17-12)10(3)14-11-8-6-5-7-9(11)2/h9-11,14H,4-8H2,1-3H3
InChIKeyDCAJHUPVPJKRRP-UHFFFAOYSA-N
XLogP2.86
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylcyclohexan-1-amine (CID 71861767) is N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylcyclohexan-1-amine is CCc1nnc(C(C)NC2CCCCC2C)o1.
What is the InChIKey of N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylcyclohexan-1-amine?
The InChIKey is DCAJHUPVPJKRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-12-15-16-13(17-12)10(3)14-11-8-6-5-7-9(11)2/h9-11,14H,4-8H2,1-3H3.
What are the key properties of N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylcyclohexan-1-amine?
N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylcyclohexan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 71861767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).