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

C15H28N4O — CID 106961976

IUPAC5-[1-(ethylamino)ethyl]-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(NCCC2CCC(C)CC2)o1
InChIInChI=1S/C15H28N4O/c1-4-16-12(3)14-18-19-15(20-14)17-10-9-13-7-5-11(2)6-8-13/h11-13,16H,4-10H2,1-3H3,(H,17,19)
InChIKeyATIUXHODBWELHZ-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.37
Rot. Bonds7

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

5-[1-(ethylamino)ethyl]-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106961976) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 5-[1-(ethylamino)ethyl]-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(ethylamino)ethyl]-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106961976
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name5-[1-(ethylamino)ethyl]-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(NCCC2CCC(C)CC2)o1
InChIInChI=1S/C15H28N4O/c1-4-16-12(3)14-18-19-15(20-14)17-10-9-13-7-5-11(2)6-8-13/h11-13,16H,4-10H2,1-3H3,(H,17,19)
InChIKeyATIUXHODBWELHZ-UHFFFAOYSA-N
XLogP3.37
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(ethylamino)ethyl]-N-[(4-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960955
5-(1-chloroethyl)-N-(2-cyclopropylethyl)-1,3,4-oxadiazol-2-amine
CID 106958030
5-[1-(ethylamino)ethyl]-N-(4-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106970199
N-(cyclohexylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968919
5-[1-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106971003
5-[1-(ethylamino)ethyl]-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 107819579
5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970385
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl carbamate
CID 106964003
5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106967102
5-[1-(propylamino)ethyl]-N-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-amine
CID 106964046
N-(1-cyclohexylethyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960760
3-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 114167811

Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethylamino)ethyl]-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(ethylamino)ethyl]-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-oxadiazol-2-amine (CID 106961976) is 5-[1-(ethylamino)ethyl]-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(ethylamino)ethyl]-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(ethylamino)ethyl]-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-oxadiazol-2-amine is CCNC(C)c1nnc(NCCC2CCC(C)CC2)o1.
What is the InChIKey of 5-[1-(ethylamino)ethyl]-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ATIUXHODBWELHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-16-12(3)14-18-19-15(20-14)17-10-9-13-7-5-11(2)6-8-13/h11-13,16H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 5-[1-(ethylamino)ethyl]-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-oxadiazol-2-amine?
5-[1-(ethylamino)ethyl]-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 280.42 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylamino)ethyl]-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106961976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).