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

C16H29N3O — CID 65389366

IUPACN-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(C)C(C)c1nc(C2CCC(CC)CC2)no1
InChIInChI=1S/C16H29N3O/c1-5-13-7-9-14(10-8-13)15-18-16(20-19-15)11(3)12(4)17-6-2/h11-14,17H,5-10H2,1-4H3
InChIKeyCRLCZEHHKZMBDB-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.85
Rot. Bonds6

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

N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 65389366) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID65389366
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(C)C(C)c1nc(C2CCC(CC)CC2)no1
InChIInChI=1S/C16H29N3O/c1-5-13-7-9-14(10-8-13)15-18-16(20-19-15)11(3)12(4)17-6-2/h11-14,17H,5-10H2,1-4H3
InChIKeyCRLCZEHHKZMBDB-UHFFFAOYSA-N
XLogP3.85
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 65389366) is N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCNC(C)C(C)c1nc(C2CCC(CC)CC2)no1.
What is the InChIKey of N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is CRLCZEHHKZMBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-13-7-9-14(10-8-13)15-18-16(20-19-15)11(3)12(4)17-6-2/h11-14,17H,5-10H2,1-4H3.
What are the key properties of N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 65389366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).