N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine

C13H23N3O2 — CID 116740963

IUPACN-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
SMILESCCOC(CC)(CC)c1noc(CNC2CC2)n1
InChIInChI=1S/C13H23N3O2/c1-4-13(5-2,17-6-3)12-15-11(18-16-12)9-14-10-7-8-10/h10,14H,4-9H2,1-3H3
InChIKeyOYASPKPIPDRTRF-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.37
Rot. Bonds8

About N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine

N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine (PubChem CID 116740963) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
PubChem CID116740963
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
SMILESCCOC(CC)(CC)c1noc(CNC2CC2)n1
InChIInChI=1S/C13H23N3O2/c1-4-13(5-2,17-6-3)12-15-11(18-16-12)9-14-10-7-8-10/h10,14H,4-9H2,1-3H3
InChIKeyOYASPKPIPDRTRF-UHFFFAOYSA-N
XLogP2.37
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine (CID 116740963) is N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine is CCOC(CC)(CC)c1noc(CNC2CC2)n1.
What is the InChIKey of N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is OYASPKPIPDRTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-13(5-2,17-6-3)12-15-11(18-16-12)9-14-10-7-8-10/h10,14H,4-9H2,1-3H3.
What are the key properties of N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine?
N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 253.35 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116740963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).