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

C14H25N3O2 — CID 63350837

IUPACN-ethyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCCCOCc1noc(C2CCC(NCC)CC2)n1
InChIInChI=1S/C14H25N3O2/c1-3-9-18-10-13-16-14(19-17-13)11-5-7-12(8-6-11)15-4-2/h11-12,15H,3-10H2,1-2H3
InChIKeyKYYFKBVSHLEGNT-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.63
Rot. Bonds7

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

N-ethyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 63350837) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-ethyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID63350837
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-ethyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCCCOCc1noc(C2CCC(NCC)CC2)n1
InChIInChI=1S/C14H25N3O2/c1-3-9-18-10-13-16-14(19-17-13)11-5-7-12(8-6-11)15-4-2/h11-12,15H,3-10H2,1-2H3
InChIKeyKYYFKBVSHLEGNT-UHFFFAOYSA-N
XLogP2.63
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 63350837) is N-ethyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is CCCOCc1noc(C2CCC(NCC)CC2)n1.
What is the InChIKey of N-ethyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is KYYFKBVSHLEGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-9-18-10-13-16-14(19-17-13)11-5-7-12(8-6-11)15-4-2/h11-12,15H,3-10H2,1-2H3.
What are the key properties of N-ethyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
N-ethyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 63350837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).