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

C13H24N4O — CID 114095232

IUPAC5-[1-(methylamino)ethyl]-N-[(1-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(NCC2(C)CCCCC2)o1
InChIInChI=1S/C13H24N4O/c1-10(14-3)11-16-17-12(18-11)15-9-13(2)7-5-4-6-8-13/h10,14H,4-9H2,1-3H3,(H,15,17)
InChIKeyATMZHEIPTGCXBE-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.73
Rot. Bonds5

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

5-[1-(methylamino)ethyl]-N-[(1-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 114095232) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-[1-(methylamino)ethyl]-N-[(1-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(methylamino)ethyl]-N-[(1-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID114095232
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-[1-(methylamino)ethyl]-N-[(1-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(NCC2(C)CCCCC2)o1
InChIInChI=1S/C13H24N4O/c1-10(14-3)11-16-17-12(18-11)15-9-13(2)7-5-4-6-8-13/h10,14H,4-9H2,1-3H3,(H,15,17)
InChIKeyATMZHEIPTGCXBE-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106961224
N-(1-ethylcyclobutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964708
N-(2,2-dimethylbutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961960
5-[1-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
CID 106961131
N-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967549
5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
CID 106961321
N-(2,2-dimethylcyclopropyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970394
5-[1-(methylamino)ethyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106968333
5-[1-(methylamino)ethyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine
CID 106964569
N-[(2-methylthiolan-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106963576
5-(1-chloroethyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-oxadiazol-2-amine
CID 106958265
N-(1-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970865

Frequently Asked Questions

What is the IUPAC name of 5-[1-(methylamino)ethyl]-N-[(1-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(methylamino)ethyl]-N-[(1-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine (CID 114095232) is 5-[1-(methylamino)ethyl]-N-[(1-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(methylamino)ethyl]-N-[(1-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(methylamino)ethyl]-N-[(1-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine is CNC(C)c1nnc(NCC2(C)CCCCC2)o1.
What is the InChIKey of 5-[1-(methylamino)ethyl]-N-[(1-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ATMZHEIPTGCXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(14-3)11-16-17-12(18-11)15-9-13(2)7-5-4-6-8-13/h10,14H,4-9H2,1-3H3,(H,15,17).
What are the key properties of 5-[1-(methylamino)ethyl]-N-[(1-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine?
5-[1-(methylamino)ethyl]-N-[(1-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 252.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methylamino)ethyl]-N-[(1-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 114095232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).