N-(1-cyclohexylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine

C15H28N4O — CID 106960756

IUPACN-(1-cyclohexylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NC(C)C2CCCCC2)o1
InChIInChI=1S/C15H28N4O/c1-4-10-16-12(3)14-18-19-15(20-14)17-11(2)13-8-6-5-7-9-13/h11-13,16H,4-10H2,1-3H3,(H,17,19)
InChIKeyCHOPJEZGJYUFAU-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.51
Rot. Bonds7

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

N-(1-cyclohexylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106960756) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106960756
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-(1-cyclohexylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NC(C)C2CCCCC2)o1
InChIInChI=1S/C15H28N4O/c1-4-10-16-12(3)14-18-19-15(20-14)17-11(2)13-8-6-5-7-9-13/h11-13,16H,4-10H2,1-3H3,(H,17,19)
InChIKeyCHOPJEZGJYUFAU-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclohexylethyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960760
5-(1-chloroethyl)-N-(1-cyclohexylethyl)-1,3,4-oxadiazol-2-amine
CID 106957599
N-(cyclohexylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968919
5-(1-aminoethyl)-N-(1-cyclobutylethyl)-1,3,4-oxadiazol-2-amine
CID 106965505
N-[(1S)-1-cyclopentylethyl]-5-ethyl-1,3,4-oxadiazol-2-amine
CID 166260451
5-(1-chloroethyl)-N-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-amine
CID 106956662
N-(1-cyclopentylethyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961636
N-cycloheptyl-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969352
N-(1-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970865
5-[1-(propylamino)ethyl]-N-(thiolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106963106
5-[1-(methylamino)ethyl]-N-[1-(oxan-4-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 114115371
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(1-cyclohexylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106960756) is N-(1-cyclohexylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(NC(C)C2CCCCC2)o1.
What is the InChIKey of N-(1-cyclohexylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is CHOPJEZGJYUFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-10-16-12(3)14-18-19-15(20-14)17-11(2)13-8-6-5-7-9-13/h11-13,16H,4-10H2,1-3H3,(H,17,19).
What are the key properties of N-(1-cyclohexylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(1-cyclohexylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 280.42 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).