2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine

C12H22N4O — CID 106962400

IUPAC2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCC1CCCN(c2nnc(CCN)o2)CC1
InChIInChI=1S/C12H22N4O/c1-2-10-4-3-8-16(9-6-10)12-15-14-11(17-12)5-7-13/h10H,2-9,13H2,1H3
InChIKeyYGHGZPPPLYDHGU-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.59
Rot. Bonds4

About 2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine

2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 106962400) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID106962400
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCC1CCCN(c2nnc(CCN)o2)CC1
InChIInChI=1S/C12H22N4O/c1-2-10-4-3-8-16(9-6-10)12-15-14-11(17-12)5-7-13/h10H,2-9,13H2,1H3
InChIKeyYGHGZPPPLYDHGU-UHFFFAOYSA-N
XLogP1.59
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 106962400) is 2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CCC1CCCN(c2nnc(CCN)o2)CC1.
What is the InChIKey of 2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is YGHGZPPPLYDHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-2-10-4-3-8-16(9-6-10)12-15-14-11(17-12)5-7-13/h10H,2-9,13H2,1H3.
What are the key properties of 2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 106962400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).