N-(3,4-dimethylcyclohexyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine

C13H24N4O — CID 106962075

IUPACN-(3,4-dimethylcyclohexyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(NC2CCC(C)C(C)C2)o1
InChIInChI=1S/C13H24N4O/c1-4-14-8-12-16-17-13(18-12)15-11-6-5-9(2)10(3)7-11/h9-11,14H,4-8H2,1-3H3,(H,15,17)
InChIKeyKZWXYQVWGSREIA-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.42
Rot. Bonds5

About N-(3,4-dimethylcyclohexyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine

N-(3,4-dimethylcyclohexyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106962075) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106962075
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(3,4-dimethylcyclohexyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(NC2CCC(C)C(C)C2)o1
InChIInChI=1S/C13H24N4O/c1-4-14-8-12-16-17-13(18-12)15-11-6-5-9(2)10(3)7-11/h9-11,14H,4-8H2,1-3H3,(H,15,17)
InChIKeyKZWXYQVWGSREIA-UHFFFAOYSA-N
XLogP2.42
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106962075) is N-(3,4-dimethylcyclohexyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine is CCNCc1nnc(NC2CCC(C)C(C)C2)o1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is KZWXYQVWGSREIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-14-8-12-16-17-13(18-12)15-11-6-5-9(2)10(3)7-11/h9-11,14H,4-8H2,1-3H3,(H,15,17).
What are the key properties of N-(3,4-dimethylcyclohexyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-(3,4-dimethylcyclohexyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 252.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).