3-[2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine

C16H31N3O2 — CID 116740805

IUPAC3-[2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine
SMILESCCCC(CCN)CCc1nc(C(C)(CC)OCC)no1
InChIInChI=1S/C16H31N3O2/c1-5-8-13(11-12-17)9-10-14-18-15(19-21-14)16(4,6-2)20-7-3/h13H,5-12,17H2,1-4H3
InChIKeyWTPKIFMKMLRMMC-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.43
Rot. Bonds11

About 3-[2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine

3-[2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine (PubChem CID 116740805) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 3-[2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine.

Molecular Properties

Compound Name3-[2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine
PubChem CID116740805
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name3-[2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine
SMILESCCCC(CCN)CCc1nc(C(C)(CC)OCC)no1
InChIInChI=1S/C16H31N3O2/c1-5-8-13(11-12-17)9-10-14-18-15(19-21-14)16(4,6-2)20-7-3/h13H,5-12,17H2,1-4H3
InChIKeyWTPKIFMKMLRMMC-UHFFFAOYSA-N
XLogP3.43
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine
CID 79202804
[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116740577
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 116740710
3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116781585
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116781044
1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116740982
4-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 116740998
2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 116743989
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 116781067
4-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116740959
3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one
CID 116780226
2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 116740555

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine?
The IUPAC name of 3-[2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine (CID 116740805) is 3-[2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine.
What is the SMILES notation for 3-[2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine?
The canonical SMILES for 3-[2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine is CCCC(CCN)CCc1nc(C(C)(CC)OCC)no1.
What is the InChIKey of 3-[2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine?
The InChIKey is WTPKIFMKMLRMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-5-8-13(11-12-17)9-10-14-18-15(19-21-14)16(4,6-2)20-7-3/h13H,5-12,17H2,1-4H3.
What are the key properties of 3-[2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine?
3-[2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 3.43, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine is sourced from PubChem (CID 116740805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).