6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine

C14H27N3O2 — CID 116701890

IUPAC6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
SMILESCCOC(CC)c1noc(C(C)CCCC(C)N)n1
InChIInChI=1S/C14H27N3O2/c1-5-12(18-6-2)13-16-14(19-17-13)10(3)8-7-9-11(4)15/h10-12H,5-9,15H2,1-4H3
InChIKeyDBFDURCXARKEQC-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.18
Rot. Bonds9

About 6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine

6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine (PubChem CID 116701890) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine.

Molecular Properties

Compound Name6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
PubChem CID116701890
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
SMILESCCOC(CC)c1noc(C(C)CCCC(C)N)n1
InChIInChI=1S/C14H27N3O2/c1-5-12(18-6-2)13-16-14(19-17-13)10(3)8-7-9-11(4)15/h10-12H,5-9,15H2,1-4H3
InChIKeyDBFDURCXARKEQC-UHFFFAOYSA-N
XLogP3.18
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 116702190
6-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 65285400
(1S,2S)-1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900343
6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine
CID 65285729
(1S,2S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900344
3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 116733133
[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 116701976
(1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565568
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 116732543
6-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 65285104
3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 116733157
3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116702101

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine?
The IUPAC name of 6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine (CID 116701890) is 6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine.
What is the SMILES notation for 6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine?
The canonical SMILES for 6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine is CCOC(CC)c1noc(C(C)CCCC(C)N)n1.
What is the InChIKey of 6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine?
The InChIKey is DBFDURCXARKEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-12(18-6-2)13-16-14(19-17-13)10(3)8-7-9-11(4)15/h10-12H,5-9,15H2,1-4H3.
What are the key properties of 6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine?
6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine is sourced from PubChem (CID 116701890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).